SCHEMBL14830702

SCHEMBL14830702

COc1ccccc1-c1noc2c(-c3cnccc3C)cccc12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 15/20 0.72
CYP1A2 P05177 4/20 0.72
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HTR7 P34969 1/20 0.40

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
SCHEMBL14830609 0.89 CYP17A1 (0.69) CYP17A1CYP1A2
SCHEMBL14830514 0.89 CYP17A1 (0.69) CYP17A1CYP1A2
SCHEMBL14830699 0.87 CYP17A1 (0.56) CYP17A1CYP1A2POLBRAB9ASMN1; SMN2
SCHEMBL14830828 0.84 CYP17A1 (1.00) CYP17A1CYP1A2RAB9ASMN1; SMN2NPC1
SCHEMBL14830905 0.83 CYP17A1 (0.72) CYP17A1CYP1A2POLBRAB9ASMN1; SMN2
SCHEMBL14837986 0.82 CYP17A1 (0.75) CYP17A1CYP1A2
SCHEMBL14830902 0.82 CYP17A1 (0.74) CYP17A1CYP1A2
SCHEMBL14830967 0.82 CYP17A1 (0.72) CYP17A1CYP1A2
SCHEMBL14830434 0.81 CYP17A1 (0.47) CYP17A1CYP1A2SMN1; SMN2HTR7
SCHEMBL14830689 0.81 CYP17A1 (0.72) CYP17A1CYP1A2RAB9ASMN1; SMN2TP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969586-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 US claimed
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 US claimed
US-9598436-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9598436-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9598436-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
EP-2760870-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-05-04 EP disclosed
EP-2760870-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-05-04 EP disclosed
US-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-04-07 US disclosed
US-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-04-07 US disclosed
US-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-04-07 US disclosed
US-9242967-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-8969586-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 US disclosed
US-8969586-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 US disclosed
US-8969586-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 US disclosed
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 US disclosed
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 US disclosed
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-08-21 US disclosed
EP-2760870-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013049263-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013049263-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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 (2 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-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP1A2, CYP3A43, CYP4A22 CYP17A1 35/4885CYP1A2 1/4885POLB 1379/4885
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP4A22, CYP1A2, CYP2C18 CYP17A1 23/4885CYP1A2 2/4885POLB 1381/4885

“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.