SCHEMBL926017

SCHEMBL926017

O=C(Nc1cnc2[nH]ccc2c1)c1cc2cc(C(F)(F)F)cnc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.49
CDK8 P49336 3/20 0.46
PPARG P37231 11/20 0.43
BRAF P15056 2/20 0.42
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL926554 0.93 TNIK (0.44) TNIKCDK8PPARGBRAFPIK3CA
SCHEMBL926843 0.93 TNIK (0.43) TNIKCDK8BRAFPIK3CAMTOR
SCHEMBL27808842 0.93 TNIK (0.42) TNIKCDK8BRAFPIK3CAMTOR
SCHEMBL926382 0.89 TNIK (0.53) TNIKCDK8PPARG
SCHEMBL28790848 0.89 BRAF (0.40) CDK8BRAFPIK3CAMTOR
SCHEMBL926220 0.87 TNIK (0.51) TNIKCDK8PPARG
SCHEMBL17997440 0.86 ECE1 (0.46) CDK8BRAFPIK3CAMTOR
SCHEMBL926408 0.86 TNIK (0.52) TNIKCDK8PPARG
SCHEMBL926131 0.84 TNIK (0.53) TNIKCDK8PPARG
SCHEMBL926797 0.84 TNIK (0.51) TNIKCDK8PPARGPIK3CAMTOR

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 TNIK 3921/4885CDK8 671/4885PPARG 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.