SCHEMBL926224

SCHEMBL926224

O=C(Nc1cnc2[nH]ccc2c1)c1cc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 3/20 0.49
PPARG P37231 9/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
CDK8 P49336 3/20 0.44
CCR2 P41597 1/20 0.42
ECE1 P42892 1/20 0.42
BRAF P15056 1/20 0.41
MAOB P27338 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
SCHEMBL926382 0.94 TNIK (0.53) TNIKPPARGCDK8CCR2ECE1
SCHEMBL927456 0.92 TNIK (0.53) TNIKCDK8CCR2ECE1BRAF
SCHEMBL926596 0.91 ECE1 (0.53) TNIKPPARGCDK8CCR2ECE1
SCHEMBL28787470 0.91 TNIK (0.47) TNIKPPARGCDK8CCR2ECE1
SCHEMBL926408 0.89 TNIK (0.52) TNIKPPARGGRIN1GRIN2BCDK8
SCHEMBL926554 0.89 TNIK (0.44) TNIKPPARGGRIN1GRIN2BCDK8
SCHEMBL926131 0.88 TNIK (0.53) TNIKPPARGCDK8ECE1
SCHEMBL27808797 0.87 CCR2 (0.44) TNIKPPARGGRIN1GRIN2BCDK8
SCHEMBL926220 0.87 TNIK (0.51) TNIKPPARGCDK8CCR2
SCHEMBL928668 0.86 ECE1 (0.53) TNIKCDK8ECE1BRAF

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-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
CN-101977911-A Azabicyclic carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2011-02-16 CN 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
CN-101977911-A Azabicyclic carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS 2011-02-16 CN 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 3921/4885PPARG 1450/4885GRIN1 1554/4885

“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.