SCHEMBL15105468

SCHEMBL15105468

COc1ccccc1-n1ncc2c(-c3cncnc3N)ccnc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 15/20 0.70
CYP1A2 P05177 8/20 0.70
CYP3A4 P08684 1/20 0.61
CYP11B1 P15538 1/20 0.61
SLC2A1 P11166 4/20 0.49
SLC2A2 P11168 4/20 0.49
SLC2A3 P11169 4/20 0.49
GSK3B P49841 1/20 0.47

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
SCHEMBL367566 0.86 CYP17A1 (0.63) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL15113005 0.85 CYP17A1 (0.68) CYP17A1CYP1A2CYP3A4CYP11B1GSK3B
SCHEMBL367678 0.82 CYP17A1 (1.00) CYP17A1CYP1A2SLC2A1SLC2A2SLC2A3
SCHEMBL368213 0.80 CYP17A1 (0.79) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL10187548 0.78 CYP17A1 (1.00) CYP17A1CYP1A2CYP3A4CYP11B1GSK3B
SCHEMBL15112981 0.77 CYP17A1 (0.80) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL367931 0.77 CYP17A1 (1.00) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL367206 0.77 CYP17A1 (0.84) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL15112979 0.76 CYP17A1 (0.78) CYP17A1CYP1A2CYP3A4CYP11B1
SCHEMBL368468 0.76 CYP17A1 (1.00) CYP17A1CYP1A2CYP3A4CYP11B1

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 6 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 claimed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US claimed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US claimed
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-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US 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 53/4885CYP1A2 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.