SCHEMBL367645

SCHEMBL367645

COc1ccccc1Cn1ncc2c(-c3cnccc3C)ccnc21

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 19/20 0.66
CYP17A1 P05093 17/20 0.66
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL367630 0.82 CYP17A1 (0.79) CYP1A2CYP17A1
SCHEMBL368340 0.81 CYP17A1 (0.76) CYP1A2CYP17A1ALDH1A1ALOX15HSD17B10
SCHEMBL369154 0.79 CYP17A1 (0.68) CYP1A2CYP17A1MEN1KMT2AALDH1A1
SCHEMBL367678 0.79 CYP17A1 (1.00) CYP1A2CYP17A1
SCHEMBL368532 0.78 CYP17A1 (1.00) CYP1A2CYP17A1CYP3A4
SCHEMBL368159 0.75 CYP17A1 (0.68) CYP1A2CYP17A1
SCHEMBL367760 0.75 CYP17A1 (0.68) CYP1A2CYP17A1
SCHEMBL368522 0.74 CYP17A1 (1.00) CYP1A2CYP17A1
SCHEMBL368338 0.73 CYP17A1 (0.80) CYP1A2CYP17A1
SCHEMBL368330 0.73 CYP17A1 (0.67) CYP1A2CYP17A1TSHRMEN1KMT2A

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 10 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
EP-2593453-A1 AZAINDAZOLE COMPOUNDS Bristol-Myers Squibb Company (US) 2013-05-22 EP 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 CYP1A2 9/4885CYP17A1 53/4885CYP3A4 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.