SCHEMBL926843

SCHEMBL926843

Cc1cccc(Cn2c(C(=O)Nc3cnc4[nH]ccc4c3)cc3cc(C(F)(F)F)cnc32)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.43
ECE1 P42892 1/20 0.43
CDK8 P49336 6/20 0.42
PIK3CA P42336 3/20 0.42
MTOR P42345 3/20 0.42
BRAF P15056 4/20 0.42
KIT P10721 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR1E P28566 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
S1PR3 Q99500 1/20 0.41
EGFR P00533 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
FAAH O00519 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) TNIKCDK8PIK3CAMTORBRAF
SCHEMBL926554 0.91 TNIK (0.44) TNIKCDK8PIK3CAMTORBRAF
SCHEMBL27808842 0.90 TNIK (0.42) TNIKCDK8PIK3CAMTORBRAF
SCHEMBL926596 0.89 ECE1 (0.53) TNIKECE1CDK8PIK3CAMTOR
SCHEMBL926349 0.87 ECE1 (0.49) TNIKECE1CDK8PIK3CAMTOR
SCHEMBL28790848 0.87 BRAF (0.40) CDK8PIK3CAMTORBRAFKIT
SCHEMBL17997440 0.84 ECE1 (0.46) ECE1CDK8PIK3CAMTORBRAF
SCHEMBL927457 0.82 TNIK (0.49) TNIKECE1CDK8PIK3CAMTOR
SCHEMBL928668 0.82 ECE1 (0.53) TNIKECE1CDK8PIK3CAMTOR
SCHEMBL926382 0.82 TNIK (0.53) TNIKECE1CDK8

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 3921/4885ECE1 3015/4885CDK8 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.