SCHEMBL368330

SCHEMBL368330

Cc1ccncc1-c1ccnc2c1cnn2Cc1c(F)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 15/20 0.67
CYP1A2 P05177 15/20 0.67
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL368532 0.81 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL367630 0.80 CYP17A1 (0.79) CYP17A1CYP1A2MAPT
SCHEMBL369005 0.76 CYP17A1 (0.71) CYP17A1CYP1A2
SCHEMBL368522 0.74 CYP17A1 (1.00) CYP17A1CYP1A2
SCHEMBL368340 0.74 CYP17A1 (0.76) CYP17A1CYP1A2MAPT
SCHEMBL369154 0.73 CYP17A1 (0.68) CYP17A1CYP1A2PKMKMT2AMEN1
SCHEMBL369295 0.73 CYP17A1 (0.71) CYP17A1CYP1A2
SCHEMBL368159 0.73 CYP17A1 (0.68) CYP17A1CYP1A2
SCHEMBL367760 0.73 CYP17A1 (0.68) CYP17A1CYP1A2
SCHEMBL367645 0.73 CYP1A2 (0.66) CYP17A1CYP1A2KMT2AMEN1TSHR

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 9/4885PKM 4044/4885

“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.