SCHEMBL21395585

SCHEMBL21395585

CCOc1ccc2nc(-c3cc(C)cc4nc(OOC)cnc34)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 15/20 0.64
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL21395392 0.91 F2RL3 (0.76) F2RL3
SCHEMBL30187492 0.85 F2RL3 (0.57) F2RL3ALDH1A1HSD17B10TP53CYP3A4
SCHEMBL19783708 0.85 F2RL3 (0.57) F2RL3ALDH1A1HSD17B10TP53CYP3A4
SCHEMBL21395391 0.82 F2RL3 (0.56) F2RL3
SCHEMBL19783307 0.82 F2RL3 (0.67) F2RL3
SCHEMBL19782869 0.81 F2RL3 (0.66) F2RL3
SCHEMBL21395367 0.78 F2RL3 (0.81) F2RL3
SCHEMBL30189835 0.78 F2RL3 (0.78) F2RL3
SCHEMBL21379599 0.78 F2RL3 (0.78) F2RL3
SCHEMBL19783345 0.78 F2RL3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 2/4885ALDH1A1 1618/4885HSD17B10 2283/4885

“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.