SCHEMBL21395519

SCHEMBL21395519

COCc1cnc2c(-c3nc4ccc(F)cc4s3)cc(C)cc2n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 15/20 0.54
ILK Q13418 1/20 0.43
APP P05067 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30187578 1.00 F2RL3 (0.54) F2RL3ILKAPPPIK3CDPIK3CA
SCHEMBL23462895 0.88 F2RL3 (0.52) F2RL3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL30187731 0.88 F2RL3 (0.52) F2RL3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL19782632 0.87 F2RL3 (0.67) F2RL3APP
SCHEMBL21395459 0.87 F2RL3 (0.52) F2RL3ILK
SCHEMBL30187761 0.87 F2RL3 (0.67) F2RL3APP
SCHEMBL30187818 0.87 F2RL3 (0.52) F2RL3ILK
SCHEMBL19782953 0.86 F2RL3 (0.56) F2RL3
SCHEMBL30187639 0.86 F2RL3 (0.56) F2RL3
SCHEMBL19783624 0.86 F2RL3 (0.64) F2RL3ILK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 F2RL3 2/4885ILK 2829/4885APP 2691/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F2RL3 2/4885ILK 2999/4885APP 2284/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.