SCHEMBL19782792

SCHEMBL19782792

COc1ccc(N)c(Cl)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
CYP3A4 P08684 3/20 0.47
IDO1 P14902 1/20 0.45
EP300 Q09472 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 2/20 0.41
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL9672377 0.82 IDO1 (0.48) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL2123973 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL12533732 0.78 NQO2 (0.41) ALDH1A1TDP1TSHRGAANPC1
SCHEMBL11073801 0.78 IDO1 (0.45) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL2656026 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL24636823 0.77 HTR2A (0.43) ALDH1A1CYP3A4TSHRGAANPC1
SCHEMBL13862872 0.77 MAPT (0.40) ALDH1A1CYP3A4TSHRHSD17B10GAA
SCHEMBL6571131 0.77 IDO1 (0.44) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL19782964 0.77 IDO1 (0.44) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL34473006 0.76 HTR2A (0.35) ALDH1A1HSD17B10MAPTMEN1KMT2A

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 10 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
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 EP disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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 ALDH1A1 1598/4885CYP3A4 18/4885IDO1 2079/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885CYP3A4 15/4885IDO1 1704/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885CYP3A4 18/4885IDO1 2079/4885

“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.