SCHEMBL14830570

SCHEMBL14830570

Fc1ccc(-c2csc3c(-c4cncc5ccccc45)cccc23)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.69
CYP11B2 P19099 11/20 0.41
CYP11B1 P15538 8/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.40
GRM2 Q14416 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
P2RX7 Q99572 1/20 0.37
CYP19A1 P11511 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL14833723 0.82 CYP17A1 (1.00) CYP17A1CYP11B2CYP11B1CYP3A4CYP1A2
SCHEMBL14831888 0.81 CYP17A1 (0.61) CYP17A1CYP1A2HSD11B1
SCHEMBL14830914 0.73 CYP17A1 (0.64) CYP17A1CYP11B2CYP11B1CYP3A4CYP1A2
SCHEMBL28232175 0.72 CYP11B2 (0.55) CYP17A1CYP11B2CYP11B1CYP3A4CYP1A2
SCHEMBL14830957 0.69 CYP17A1 (0.63) CYP17A1CYP11B2CYP11B1CYP1A2
SCHEMBL14830743 0.68 CYP17A1 (0.56) CYP17A1CYP11B2CYP11B1CYP3A4CYP1A2
SCHEMBL2594029 0.68 CYP17A1 (0.47) CYP17A1CYP11B2CYP11B1CYP3A4CYP1A2
SCHEMBL20698326 0.67 CYP11B2 (0.47) CYP17A1CYP11B2CYP11B1CYP3A4GRM2
SCHEMBL10304964 0.67 CYP11B2 (0.53) CYP17A1CYP11B2CYP11B1CYP3A4CYP1A2
SCHEMBL20873066 0.66 PRKCZ (0.64) CYP17A1CYP11B2CYP11B1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242967-B2 Substituted bicyclic heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US claimed
US-20150126529-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2015-05-07 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-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 (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-20160096847-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP1A2, CYP3A43, CYP4A22 CYP17A1 35/4885CYP11B2 7/4885CYP11B1 19/4885
US-20140235647-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP4A22, CYP1A2, CYP2C18 CYP17A1 23/4885CYP11B2 9/4885CYP11B1 16/4885
US-20150126529-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS CYP4A22, CYP1A2, CYP2C18 CYP17A1 23/4885CYP11B2 9/4885CYP11B1 16/4885

“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.