SCHEMBL368199

SCHEMBL368199

OB(O)c1ccnc2c1cnn2-c1ccc(F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 15/20 0.60
CYP1A2 P05177 10/20 0.60
SCN9A Q15858 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 3/20 0.38
SLC2A3 P11169 3/20 0.38
SLC2A2 P11168 2/20 0.38

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
SCHEMBL368855 0.88 CYP17A1 (0.61) CYP17A1CYP1A2HTTRAB9ASMN1; SMN2
SCHEMBL367468 0.85 CYP17A1 (0.53) CYP17A1CYP1A2SLC2A1SLC2A3SLC2A2
SCHEMBL368300 0.83 CYP17A1 (0.41) CYP17A1CYP1A2HTTRAB9ASMN1; SMN2
SCHEMBL25975112 0.83 CYP17A1 (0.74) CYP17A1CYP1A2SCN9AHTTRAB9A
SCHEMBL368955 0.81 CYP17A1 (0.57) CYP17A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL15105539 0.81 CYP17A1 (0.45) CYP17A1CYP1A2SLC2A1SLC2A3SLC2A2
SCHEMBL25342346 0.80 CYP17A1 (0.60) CYP17A1CYP1A2SCN9AHTTRAB9A
SCHEMBL359298 0.80 CYP17A1 (0.60) CYP17A1CYP1A2SCN9A
SCHEMBL368885 0.79 CYP17A1 (0.41) CYP17A1CYP1A2SLC2A1SLC2A3SLC2A2
SCHEMBL368630 0.77 CYP17A1 (0.42) CYP17A1CYP1A2SLC2A1SLC2A3SLC2A2

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 45/4885CYP1A2 8/4885SCN9A 2334/4885
US-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 CYP17A1 53/4885CYP1A2 9/4885SCN9A 3568/4885

“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.