SCHEMBL21379367

SCHEMBL21379367

COc1cc(C(O)c2ccncc2)c2nc(N)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE10A Q9Y233 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE4B Q07343 1/20 0.35
RAB9A P51151 2/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIP5K1C O60331 1/20 0.35
PI4KA P42356 1/20 0.35

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
SCHEMBL21395444 0.85 CYP3A4 (0.39) CYP3A4CYP1A2PDE10AMAPTTSHR
SCHEMBL9127244 0.82 GAA (0.41) CYP3A4CYP2C19PDE10AHSD17B10ALDH1A1
SCHEMBL30189666 0.80 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL19783639 0.80 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL30189741 0.79 PNMT (0.41) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL19783632 0.79 PNMT (0.41) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL21395379 0.75 GAA (0.42) PDE10ATDP1MAPTTSHRHSD17B10
SCHEMBL21379356 0.73 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C19TDP1MAPT
SCHEMBL19782931 0.73 CYP3A4 (0.43) CYP3A4PDE10AMAPTTSHRALDH1A1
SCHEMBL19782600 0.71 F2RL3 (0.50)

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 7 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

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 CYP3A4 18/4885CYP1A2 176/4885CYP2C19 61/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CYP3A4 15/4885CYP1A2 200/4885CYP2C19 64/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP3A4 18/4885CYP1A2 176/4885CYP2C19 61/4885

“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.