SCHEMBL928668

SCHEMBL928668

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.53
TNIK Q9UKE5 3/20 0.51
F10 P00742 1/20 0.47
PIK3CA P42336 3/20 0.45
MTOR P42345 3/20 0.45
MAPK1 P28482 1/20 0.45
HTR1E P28566 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
S1PR3 Q99500 1/20 0.45
BRAF P15056 5/20 0.44
CDK8 P49336 3/20 0.44
KIT P10721 1/20 0.43

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
SCHEMBL927457 0.93 TNIK (0.49) ECE1TNIKPIK3CAMTORMAPK1
SCHEMBL927456 0.93 TNIK (0.53) ECE1TNIKF10PIK3CAMTOR
SCHEMBL926178 0.91 ECE1 (0.53) ECE1TNIKPIK3CAMTORMAPK1
SCHEMBL926596 0.90 ECE1 (0.53) ECE1TNIKPIK3CAMTORCDK8
SCHEMBL27829308 0.86 TNIK (0.46) ECE1TNIKMAPK1NPSR1BRAF
SCHEMBL926224 0.86 TNIK (0.49) ECE1TNIKBRAFCDK8
SCHEMBL926044 0.85 TNIK (0.49) ECE1TNIKPIK3CAMTORMAPK1
SCHEMBL926349 0.85 ECE1 (0.49) ECE1TNIKPIK3CAMTORMAPK1
SCHEMBL926845 0.84 ECE1 (0.53) ECE1F10MAPK1HTR1ENPSR1
SCHEMBL926382 0.83 TNIK (0.53) ECE1TNIKCDK8

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 3 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 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 3921/4885F10 1361/4885

“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.