SCHEMBL19783306

SCHEMBL19783306

Clc1cccc2cc(I)oc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.39
PSMB8 P28062 2/20 0.37
DAO P14920 1/20 0.37
PSMB5 P28074 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 2/20 0.37
AR P10275 1/20 0.35
CBR1 P16152 1/20 0.35
AKR1C3 P42330 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNA7 P36544 1/20 0.33
TSHR P16473 1/20 0.32
TTR P02766 1/20 0.32

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
SCHEMBL12778690 0.79 NPC1 (0.55) PSMB8NPC1RAB9ACHRNA7TSHR
SCHEMBL2095032 0.75 AHR (0.39) AHRPSMB8DAOPSMB5CYP1A2
SCHEMBL13799426 0.75 MAOA (0.44) AHRPSMB8PSMB5CYP1A2CYP2A6
SCHEMBL21797929 0.75 AHR (0.39) AHRPSMB8DAOPSMB5CYP1A2
SCHEMBL18003626 0.75 CA12 (0.49) AHRDAOCYP1A2ARAKR1C3
SCHEMBL31033082 0.75 CHRM2 (0.42) NPC1RAB9ACHRNA7
SCHEMBL29208125 0.75 CHRM2 (0.42) NPC1RAB9ACHRNA7
SCHEMBL23478915 0.72 AHR (0.37) AHRPSMB8PSMB5CYP1A2CYP2A6
SCHEMBL19756708 0.71 AHR (0.40) AHRPSMB8PSMB5CYP1A2CYP2A6
SCHEMBL2096344 0.71 AHR (0.36) AHRPSMB8DAOPSMB5CYP1A2

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 AHR 1803/4885PSMB8 3140/4885DAO 1249/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 AHR 2012/4885PSMB8 2927/4885DAO 1298/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 AHR 1803/4885PSMB8 3140/4885DAO 1249/4885

“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.