SCHEMBL19782728

SCHEMBL19782728

COc1cnc2c(-c3nc4c(C)cc(OCCOC(C)=O)nc4s3)cc(C)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 20/20 0.47
CYP3A4 P08684 3/20 0.42

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
SCHEMBL19783408 0.92 F2RL3 (0.47) F2RL3CYP3A4
SCHEMBL23405324 0.92 F2RL3 (0.47) F2RL3CYP3A4
SCHEMBL30189841 0.87 F2RL3 (0.51) F2RL3
SCHEMBL19783235 0.87 F2RL3 (0.51) F2RL3
SCHEMBL21395687 0.86 F2RL3 (0.58) F2RL3CYP3A4
SCHEMBL23405320 0.86 F2RL3 (0.54) F2RL3CYP3A4
SCHEMBL21395691 0.85 F2RL3 (0.52) F2RL3CYP3A4
SCHEMBL19783067 0.85 F2RL3 (0.49) F2RL3
SCHEMBL30189594 0.85 F2RL3 (0.49) F2RL3
SCHEMBL19783282 0.85 F2RL3 (0.64) F2RL3CYP3A4

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
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
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 2/4885CYP3A4 15/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F2RL3 2/4885CYP3A4 18/4885

“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.