SCHEMBL367578

SCHEMBL367578

NS(=O)(=O)c1cccc(-n2ncc3c(B(O)O)ccnc32)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.62
GRM1 Q13255 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 3/20 0.42
CYP1A2 P05177 2/20 0.42
GRM5 P41594 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL359350 0.82 CYP17A1 (0.65) CYP17A1GRM1MEN1KMT2AMAPT
SCHEMBL368288 0.78 CYP17A1 (0.73) CYP17A1GRM1CYP1A2
SCHEMBL5967241 0.77 CYP17A1 (1.00) CYP17A1GRM1MEN1KMT2AMAPT
SCHEMBL10187247 0.76 CYP17A1 (1.00) CYP17A1GRM1MEN1KMT2AKDM4E
SCHEMBL368895 0.76 CYP17A1 (0.78) CYP17A1GRM1MEN1KMT2AKDM4E
SCHEMBL369078 0.75 CYP17A1 (0.69) CYP17A1GRM1MEN1KMT2ACYP1A2
SCHEMBL5967641 0.75 CYP17A1 (1.00) CYP17A1GRM1MEN1KMT2AMAPT
SCHEMBL10076704 0.74 CYP17A1 (1.00) CYP17A1GRM1MEN1KMT2ACYP1A2
SCHEMBL368955 0.71 CYP17A1 (0.57) CYP17A1MAPTNPC1RAB9ATP53
SCHEMBL10188361 0.71 CYP17A1 (0.44) CYP17A1MAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266880-B2 Substituted azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-23 US disclosed
US-9266880-B2 Substituted azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-23 US disclosed
US-9266880-B2 Substituted azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-23 US disclosed
EP-2638041-B1 SUBSTITUTED AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2015-07-22 EP disclosed
EP-2638041-B1 SUBSTITUTED AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2015-07-22 EP disclosed
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 EP disclosed
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 EP disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-20130231354-A1 SUBSTITUTED AZAINDAZOLE COMPOUNDS BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-09-05 US disclosed
US-20130231354-A1 SUBSTITUTED AZAINDAZOLE COMPOUNDS BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-09-05 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
EP-2593453-A1 AZAINDAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-22 EP disclosed
WO-2012064815-A1 SUBSTITUTED AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO disclosed
WO-2012064815-A1 SUBSTITUTED AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 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-20130231354-A1 SUBSTITUTED AZAINDAZOLE COMPOUNDS CYP3A7, CYP2C19, UGT2B17 CYP17A1 45/4885GRM1 3030/4885MEN1 2788/4885
US-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 CYP17A1 53/4885GRM1 3351/4885MEN1 2354/4885

“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.