SCHEMBL926044

SCHEMBL926044

Cc1cccc(Cn2c(C(=O)Nc3cnc4[nH]ccc4c3)cc3ccc([Si](C)(C)C)cc32)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 4/20 0.49
ECE1 P42892 1/20 0.47
PIK3CA P42336 3/20 0.44
MTOR P42345 3/20 0.44
KIT P10721 1/20 0.43
BRAF P15056 5/20 0.40
FAAH O00519 3/20 0.40
CDK8 P49336 1/20 0.40
MAPK1 P28482 1/20 0.39
HTR1E P28566 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR3 Q99500 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL926178 0.93 ECE1 (0.53) TNIKECE1PIK3CAMTORKIT
SCHEMBL927457 0.91 TNIK (0.49) TNIKECE1PIK3CAMTORKIT
SCHEMBL926349 0.89 ECE1 (0.49) TNIKECE1PIK3CAMTORKIT
SCHEMBL926797 0.89 TNIK (0.51) TNIKPIK3CAMTORCDK8
SCHEMBL928668 0.85 ECE1 (0.53) TNIKECE1PIK3CAMTORKIT
SCHEMBL926596 0.84 ECE1 (0.53) TNIKECE1PIK3CAMTORKIT
SCHEMBL926131 0.83 TNIK (0.53) TNIKECE1CDK8
SCHEMBL926220 0.82 TNIK (0.51) TNIKCDK8
SCHEMBL17997461 0.82 ECE1 (0.51) ECE1PIK3CAMTORKITBRAF
SCHEMBL925961 0.81 KIT (0.41) PIK3CAMTORKITBRAFMAPK1

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 3015/4885PIK3CA 3014/4885

“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.