SCHEMBL926596

SCHEMBL926596

Cc1cccc(Cn2c(C(=O)Nc3cnc4[nH]ccc4c3)cc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.53
TNIK Q9UKE5 2/20 0.47
PPARG P37231 10/20 0.45
CDK8 P49336 3/20 0.44
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
CCR2 P41597 1/20 0.42
KIT P10721 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
SCHEMBL926349 0.94 ECE1 (0.49) ECE1TNIKPPARGCDK8PIK3CA
SCHEMBL926382 0.93 TNIK (0.53) ECE1TNIKPPARGCDK8CCR2
SCHEMBL926224 0.91 TNIK (0.49) ECE1TNIKPPARGCDK8CCR2
SCHEMBL28787470 0.90 TNIK (0.47) ECE1TNIKPPARGCDK8PIK3CA
SCHEMBL928668 0.90 ECE1 (0.53) ECE1TNIKCDK8PIK3CAMTOR
SCHEMBL926178 0.89 ECE1 (0.53) ECE1TNIKCDK8PIK3CAMTOR
SCHEMBL926131 0.89 TNIK (0.53) ECE1TNIKPPARGCDK8
SCHEMBL926843 0.89 TNIK (0.43) ECE1TNIKCDK8PIK3CAMTOR
SCHEMBL27808797 0.87 CCR2 (0.44) ECE1TNIKPPARGCDK8CCR2
SCHEMBL926220 0.87 TNIK (0.51) TNIKPPARGCDK8CCR2

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-2235015-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP claimed
US-8354425-B2 Azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-15 US claimed
US-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US claimed
EP-2235015-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP disclosed
US-8354425-B2 Azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-15 US disclosed
US-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 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-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ZYX, XDH, ZFX ECE1 3015/4885TNIK 3921/4885PPARG 1450/4885

“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.