SCHEMBL19782939

SCHEMBL19782939

COc1cc(C)c2nc(Br)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.43
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDK1 Q15118 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12109852 0.84 MAPT (0.45) F2RL3HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL19782620 0.82 F2RL3 (0.45) F2RL3CYP1A2CYP3A4CYP2C19PDK1
SCHEMBL19783647 0.81 MAPT (0.44) HSD17B10CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL19783358 0.81 F2RL3 (0.44) F2RL3CYP1A2CYP3A4CYP2C19PDK1
SCHEMBL19782466 0.81 ALDH1A1 (0.46) F2RL3HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL19782618 0.81 F2RL3 (0.44) F2RL3HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL11363181 0.81 HSD17B10 (0.64) F2RL3HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL30189852 0.81 ALDH1A1 (0.46) F2RL3HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL30189743 0.81 F2RL3 (0.44) F2RL3CYP1A2CYP3A4CYP2C19PDK1
SCHEMBL21395388 0.80 F2RL3 (0.45) F2RL3HSD17B10MAPTRAB9AALDH1A1

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
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 F2RL3 2/4885HSD17B10 2146/4885CYP1A2 176/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 F2RL3 2/4885HSD17B10 2283/4885CYP1A2 200/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F2RL3 2/4885HSD17B10 2146/4885CYP1A2 176/4885

“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.