SCHEMBL14830512

SCHEMBL14830512

Cc1ncncc1-c1cccc2c(-c3cnccn3)noc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 15/20 0.69
CYP1A2 P05177 2/20 0.51
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PIM1 P11309 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
SCHEMBL14830940 0.85 CYP17A1 (0.70) CYP17A1CYP1A2
SCHEMBL14830648 0.82 CYP17A1 (0.60) CYP17A1CYP1A2
SCHEMBL14830441 0.81 CYP17A1 (1.00) CYP17A1CYP1A2ALDH1A1CYP3A4ALOX15
SCHEMBL14831574 0.81 CYP17A1 (0.58) CYP17A1CYP1A2ALDH1A1
SCHEMBL14830600 0.81 CYP17A1 (0.76) CYP17A1CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL14837972 0.80 CYP17A1 (0.58) CYP17A1CYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL14831008 0.80 CYP17A1 (0.57) CYP17A1CYP1A2KDM4EL3MBTL1ALDH1A1
SCHEMBL14830895 0.80 CYP17A1 (0.82) CYP17A1CYP1A2ALDH1A1CYP3A4CYP2C19
SCHEMBL14830967 0.79 CYP17A1 (0.72) CYP17A1CYP1A2KDM4EALDH1A1CYP3A4
SCHEMBL14831805 0.79 CYP17A1 (1.00) CYP17A1CYP1A2CYP3A4CYP2C19

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 1/4885EDNRB 2711/4885
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP4A22, CYP1A2, CYP2C18 CYP17A1 23/4885CYP1A2 2/4885EDNRB 2742/4885

“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.