SCHEMBL940740

SCHEMBL940740

C[Si](C)(C)c1ccc2cc(C(=O)Nc3ccc(N4CC(O)C4)nc3)n(Cc3ccncc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.39
FASN P49327 2/20 0.38
DGAT1 O75907 3/20 0.37
DYRK1A Q13627 3/20 0.36
CLK2 P49760 2/20 0.36
CLK3 P49761 2/20 0.36
WNT1 P04628 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
PDE7A Q13946 1/20 0.35
STAT3 P40763 1/20 0.35
CRACR2A Q9BSW2 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
F10 P00742 2/20 0.34
F2 P00734 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL940929 0.90 FASN (0.42) FASNDGAT1DYRK1ACLK2CLK3
SCHEMBL941019 0.87 DGAT1 (0.40) TRPV1FASNDGAT1PTGDR2RAF1
SCHEMBL940147 0.86 PPARG (0.46) TRPV1SMN1; SMN2MAPTSTAT3RAF1
SCHEMBL940148 0.83 ECE1 (0.48) TRPV1DGAT1CLK2MAPT
SCHEMBL1100254 0.83 MAPT (0.42) TRPV1FASNDGAT1SMN1; SMN2MAPT
SCHEMBL1100344 0.83 ROCK1 (0.43) TRPV1FASNDGAT1MAPTPTGDR2
SCHEMBL1099239 0.82 MAOB (0.45) TRPV1FASNDGAT1SMN1; SMN2MAPT
SCHEMBL939898 0.81 ECE1 (0.40) TRPV1DGAT1F10RAF1BRAF
Trifluoroacetic Acid SCHEMBL1100779 0.80 SLC2A1 (0.41) TRPV1FASNDGAT1MAPTPTGDR2
SCHEMBL939844 0.80 PPARG (0.46) TRPV1MAPTRAF1BRAF

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
CN-102143956-B Derivatives of indole-2-carboxamides and azaindole-2-carboxamides substituted by silane groups, preparation thereof and therapeutic use thereof SANOFI AVENTIS 2014-04-23 CN claimed
US-8399491-B2 Derivatives of indole-2-carboxamides and of azaindole-2-carboxamides substituted with a silanyl group, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-19 US claimed
EP-2235003-B1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-12-19 EP claimed
US-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US claimed
CN-102143956-B Derivatives of indole-2-carboxamides and azaindole-2-carboxamides substituted by silane groups, preparation thereof and therapeutic use thereof SANOFI AVENTIS 2014-04-23 CN disclosed
US-8399491-B2 Derivatives of indole-2-carboxamides and of azaindole-2-carboxamides substituted with a silanyl group, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-19 US disclosed
EP-2235003-B1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-12-19 EP disclosed
US-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, 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-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, INMT, IDO1 TRPV1 1021/4885FASN 2736/4885DGAT1 3737/4885

“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.