SCHEMBL19783419

SCHEMBL19783419

COc1cc2ccoc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
CYP3A4 P08684 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
TRPA1 O75762 3/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 4/20 0.37
CYP2A6 P11509 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL4580168 0.84 MCL1 (0.55) MCL1CYP3A4HSD17B10CASP1CASP7
SCHEMBL30018039 0.81 MCL1 (0.47) MCL1CYP3A4HSD17B10CASP1CASP7
SCHEMBL28941052 0.81 TRPA1 (0.35) CYP3A4HSD17B10CTNNB1WNT3ATRPA1
SCHEMBL19783181 0.78 CA12 (0.38) CYP3A4HSD17B10CTNNB1WNT3ATRPA1
SCHEMBL20563591 0.78 CYP3A4 (0.42) MCL1CYP3A4HSD17B10CASP1CASP7
SCHEMBL27938872 0.78 MCL1 (0.58) MCL1CYP3A4HSD17B10CASP1CASP7
SCHEMBL2260966 0.78 CYP2A6 (0.45) CYP3A4HSD17B10CTNNB1WNT3APTPN1
SCHEMBL12546789 0.76 CYP3A4 (0.43) MCL1CYP3A4HSD17B10CASP1CASP7
SCHEMBL18876066 0.75 CYP2A6 (0.40) CYP3A4HSD17B10CTNNB1WNT3AKDM4E
SCHEMBL5987112 0.74 CYP3A4 (0.45) MCL1CYP3A4HSD17B10CASP1CASP7

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 MCL1 1970/4885CYP3A4 18/4885HSD17B10 2146/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MCL1 2177/4885CYP3A4 15/4885HSD17B10 2283/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MCL1 1970/4885CYP3A4 18/4885HSD17B10 2146/4885

“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.