SCHEMBL14833730

SCHEMBL14833730

Fc1ccc(-c2noc3c(-c4cncc5ncccc45)cccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 14/20 0.65
CYP1A2 P05177 2/20 0.50
MAPK14 Q16539 6/20 0.36
MAPK11 Q15759 3/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
GCGR P47871 1/20 0.34

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
SCHEMBL14830686 0.82 CYP17A1 (0.65) CYP17A1CYP1A2MAPK14MAPK11MAPK13
SCHEMBL14833954 0.79 CYP17A1 (1.00) CYP17A1CYP1A2MAPK14MAPK9MAPK10
SCHEMBL14830895 0.79 CYP17A1 (0.82) CYP17A1CYP1A2MAPK14MAPK11MAPK9
SCHEMBL14830931 0.79 CYP17A1 (0.74) CYP17A1CYP1A2MAPK14MAPK11MAPK9
SCHEMBL14830701 0.76 CYP17A1 (0.73) CYP17A1CYP1A2
SCHEMBL14830511 0.74 CYP17A1 (0.58) CYP17A1CYP1A2MAPK14MAPK11MAPK9
SCHEMBL14833734 0.73 CYP17A1 (1.00) CYP17A1CYP1A2MAPK14
SCHEMBL14831375 0.72 CYP17A1 (0.55) CYP17A1CYP1A2
SCHEMBL14831197 0.72 CYP17A1 (0.71) CYP17A1CYP1A2MAPK14MAPK11MAPK9
SCHEMBL14830930 0.71 CYP17A1 (0.54) CYP17A1CYP1A2MAPK14

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 1/4885MAPK14 2758/4885
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP4A22, CYP1A2, CYP2C18 CYP17A1 23/4885CYP1A2 2/4885MAPK14 2459/4885

“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.