SCHEMBL19783494

SCHEMBL19783494

COc1cc(C(C)O)c2nc(Br)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.36
NPC1 O15118 9/20 0.34
RAB9A P51151 9/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
PPARA Q07869 3/20 0.33
MAPT P10636 3/20 0.33
DYRK1A Q13627 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL19783331 0.84 ATAD2 (0.32) ATAD2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21379431 0.82 ATAD2 (0.31) ATAD2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19782902 0.82 NPC1 (0.33) ATAD2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21395379 0.81 GAA (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL19783590 0.80 NPC1 (0.35) ATAD2NPC1RAB9AALDH1A1MEN1
SCHEMBL19783102 0.79 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19783149 0.79 NPC1 (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL21379526 0.78 F2RL3 (0.33) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19783558 0.77 SCD (0.47) NPC1RAB9ASMN1; SMN2MAPK1MEN1
SCHEMBL19782931 0.76 CYP3A4 (0.43) RAB9ASMN1; SMN2ALDH1A1MAPTCYP3A4

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 8 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-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP 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 (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 ATAD2 4810/4885NPC1 2194/4885RAB9A 748/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ATAD2 4715/4885NPC1 2639/4885RAB9A 667/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ATAD2 4810/4885NPC1 2194/4885RAB9A 748/4885

“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.