SCHEMBL10187252

SCHEMBL10187252

OB(O)c1ccnc2c1cnn2-c1ncccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.57
EPHX2 P34913 1/20 0.44
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.40
SLC2A1 P11166 1/20 0.39
SLC2A2 P11168 1/20 0.39
HSD11B1 P28845 4/20 0.38
TRPV1 Q8NER1 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
RBP4 P02753 1/20 0.36

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
SCHEMBL10187549 0.86 CYP17A1 (0.43) CYP17A1CYP1A2SLC2A1SLC2A2TRPV1
SCHEMBL10187420 0.81 CYP17A1 (0.60) CYP17A1EPHX2GAACYP1A2SLC2A1
SCHEMBL368116 0.76 CYP17A1 (0.71) CYP17A1CYP1A2
SCHEMBL367430 0.73 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL15113007 0.73 SLC2A1 (0.46) CYP17A1GAACYP1A2SLC2A1SLC2A2
SCHEMBL368630 0.73 CYP17A1 (0.42) CYP17A1CYP1A2SLC2A1SLC2A2
SCHEMBL368955 0.71 CYP17A1 (0.57) CYP17A1CYP1A2NPC1RAB9A
SCHEMBL367468 0.70 CYP17A1 (0.53) CYP17A1CYP1A2SLC2A1SLC2A2
SCHEMBL368885 0.69 CYP17A1 (0.41) CYP17A1CYP1A2SLC2A1SLC2A2
SCHEMBL2897752 0.69 EPHX2 (0.47) CYP17A1EPHX2GAAHSD11B1TRPV1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (1 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-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 CYP17A1 53/4885EPHX2 1549/4885GAA 1323/4885

“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.