SCHEMBL19782589

SCHEMBL19782589

COCc1cnc2c(-c3nc4c(C)cccc4s3)cc(C)cc2n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 16/20 0.59
AGPAT2 O15120 1/20 0.42
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30187567 0.89 F2RL3 (0.69) F2RL3ALDH1A1
SCHEMBL30187538 0.89 F2RL3 (0.56) F2RL3
SCHEMBL30187672 0.89 F2RL3 (0.53) F2RL3AGPAT2
SCHEMBL19782987 0.89 F2RL3 (0.53) F2RL3AGPAT2
SCHEMBL21395449 0.89 F2RL3 (0.56) F2RL3
SCHEMBL19782610 0.89 F2RL3 (0.69) F2RL3ALDH1A1
SCHEMBL19783624 0.88 F2RL3 (0.64) F2RL3ALDH1A1
SCHEMBL21395654 0.85 F2RL3 (0.67) F2RL3
SCHEMBL19783117 0.85 F2RL3 (0.57) F2RL3
SCHEMBL21395599 0.84 F2RL3 (0.68) F2RL3

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 5 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
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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 2/4885AGPAT2 2582/4885ALDH1A1 1618/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F2RL3 2/4885AGPAT2 2500/4885ALDH1A1 1598/4885

“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.