SCHEMBL368955

SCHEMBL368955

OB(O)c1ccnc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 13/20 0.57
CYP1A2 P05177 10/20 0.57
CYP3A4 P08684 1/20 0.52
CYP11B1 P15538 1/20 0.52
TP53 P04637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL10188361 0.82 CYP17A1 (0.44) CYP17A1CYP1A2CYP3A4CYP11B1TP53
SCHEMBL367468 0.82 CYP17A1 (0.53) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL368199 0.81 CYP17A1 (0.60) CYP17A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL368855 0.79 CYP17A1 (0.61) CYP17A1CYP1A2TP53RAB9ALMNA
SCHEMBL13790268 0.79 CYP17A1 (0.73) CYP17A1CYP1A2CYP3A4CYP11B1TP53
SCHEMBL368630 0.79 CYP17A1 (0.42) CYP17A1CYP1A2
SCHEMBL368885 0.78 CYP17A1 (0.41) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL368959 0.78 CYP17A1 (0.58) CYP17A1CYP1A2CYP3A4CYP11B1TP53
SCHEMBL368300 0.77 CYP17A1 (0.41) CYP17A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL15105621 0.76 CYP17A1 (0.44) CYP17A1CYP1A2CYP3A4CYP11B1TP53

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 20 patents. 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-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-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 45/4885CYP1A2 8/4885CYP3A4 11/4885
US-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 CYP17A1 53/4885CYP1A2 9/4885CYP3A4 1/4885

“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.