SCHEMBL367678

SCHEMBL367678

COc1ccccc1-n1ncc2c(-c3cnccc3C)ccnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 16/20 1.00
CYP1A2 P05177 16/20 1.00
SLC2A1 P11166 3/20 0.50
SLC2A2 P11168 3/20 0.50
SLC2A3 P11169 3/20 0.50
GSK3B P49841 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
SCHEMBL368338 0.89 CYP17A1 (0.80) CYP17A1CYP1A2
SCHEMBL368464 0.87 CYP17A1 (0.77) CYP17A1CYP1A2GSK3B
SCHEMBL15105818 0.84 CYP17A1 (0.72) CYP17A1CYP1A2
SCHEMBL367349 0.83 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL15105468 0.82 CYP17A1 (0.70) CYP17A1CYP1A2SLC2A1SLC2A2SLC2A3
SCHEMBL368484 0.82 CYP17A1 (0.69) CYP17A1CYP1A2
SCHEMBL368921 0.81 CYP17A1 (0.68) CYP17A1CYP1A2
SCHEMBL358823 0.81 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL369295 0.80 CYP17A1 (0.71) CYP17A1CYP1A2
SCHEMBL367645 0.79 CYP1A2 (0.66) CYP17A1CYP1A2

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 8 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-A1 AZAINDAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-22 EP claimed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO 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 9/4885SLC2A1 4460/4885

“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.