SCHEMBL926554

SCHEMBL926554

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.44
BRAF P15056 7/20 0.42
CDK8 P49336 7/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
FAAH O00519 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL926017 0.93 TNIK (0.49) TNIKBRAFCDK8PIK3CAMTOR
SCHEMBL926843 0.91 TNIK (0.43) TNIKBRAFCDK8PIK3CAMTOR
SCHEMBL27808842 0.91 TNIK (0.42) TNIKBRAFCDK8PIK3CAMTOR
SCHEMBL926224 0.89 TNIK (0.49) TNIKBRAFCDK8GRIN1GRIN2B
SCHEMBL28790848 0.87 BRAF (0.40) BRAFCDK8GRIN1GRIN2BPIK3CA
SCHEMBL1099566 0.85 KCNQ3 (0.48) GRIN1GRIN2BPPARG
SCHEMBL926852 0.85 MAOB (0.41) GRIN1GRIN2BPPARG
SCHEMBL926408 0.84 TNIK (0.52) TNIKCDK8GRIN1GRIN2BPPARG
SCHEMBL17997440 0.84 ECE1 (0.46) BRAFCDK8PIK3CAMTOR
SCHEMBL1100150 0.84 ECE1 (0.45) BRAFCDK8GRIN1GRIN2BPPARG

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 3921/4885BRAF 487/4885CDK8 671/4885

“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.