Structure, activity and safety, read from the tables.
Bioactivity, ADME and toxicology findings across papers and patents, pulled out with the assay conditions that make them comparable.
| Compound | Assay | Value | Conditions | Source |
|---|---|---|---|---|
| Compound A-117 | JAK1 binding | IC50 4.2 nM | HEK293, 1 mM ATP | Paper, table 2 |
| Compound A-117 | Selectivity panel | >150-fold vs JAK2 | Panel of 96 kinases | Patent, example 14 |
Questions
The questions at this stage.
- Which published analogues of this scaffold report sub-100 nM potency, and in which assay?
- What off-target liabilities are reported for this chemical series?
- What toxicology findings exist for this target class in animal studies?
- Which patents claim this scaffold, and when do they expire?
Related use cases
Also at this stage.
The narrower questions teams bring to this stage.
SAR and bioactivity
Potency and selectivity by assay from ChEMBL and PubChem bioassays, next to the papers that report them.
Target biology
Protein records from NCBI and tractability evidence from Open Targets for the target and its homologues.
ADMET and toxicology
Reported absorption, metabolism and tox findings for a chemical series or target class.
Freedom to operate
Patents that claim the scaffold, with assignee and filing year.
Applications
What teams build.
SAR assistants
Pull potency, selectivity and assay details for a series into one table.
Safety signal reviews
Collect reported off-target and toxicology findings for a target class.
Patent watchers
Flag new filings that claim a scaffold you are working on.
For medicinal chemistry teams
Bring a scaffold. Leave with the table.
Every published potency, selectivity and tox finding for your series, each value with its assay and its source.