SCHEMBL2903260

SCHEMBL2903260

O=C(Nc1ccc(N2CCC2)nc1)c1cc2ccccc2n1Cc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.51
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PPARG P37231 3/20 0.45
ROCK1 Q13464 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
MAOB P27338 1/20 0.43
WNT3A P56704 2/20 0.42
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL2899821 0.94 KCNQ3 (0.47) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2894989 0.94 KCNQ3 (0.47) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2893134 0.92 KCNQ3 (0.49) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2891751 0.91 KCNQ3 (0.48) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2891116 0.91 PTGS2 (0.47) DGAT1KCNQ3KCNQ2PTGS1PTGS2
SCHEMBL2898096 0.90 DGAT1 (0.45) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2892427 0.90 KCNQ3 (0.46) DGAT1KCNQ3KCNQ2PTGS1PTGS2
SCHEMBL940036 0.90 KCNQ3 (0.44) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL940667 0.90 KCNQ3 (0.44) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2896126 0.90 ECE1 (0.47) DGAT1KCNQ3KCNQ2NPC1RAB9A

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
CN-101511819-B Derivatives of N- (amino-heteroaryl) -1H-indole-2-amides, preparation thereof and use thereof in therapy SANOFI AVENTIS 2014-04-23 CN disclosed
US-8586573-B2 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI (FR) 2013-11-19 US disclosed
US-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-11-11 US disclosed
US-7786104-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-31 US disclosed
EP-2049525-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-12-30 EP disclosed
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-06-18 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 (2 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-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 DGAT1 4048/4885KCNQ3 1390/4885KCNQ2 2051/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 DGAT1 4048/4885KCNQ3 1390/4885KCNQ2 2051/4885

“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.