SCHEMBL2899178

SCHEMBL2899178

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cc(F)ccc2n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
ECE1 P42892 9/20 0.47
DGAT1 O75907 3/20 0.47
ROCK1 Q13464 1/20 0.44
CCR2 P41597 1/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL2894989 0.94 KCNQ3 (0.47) KCNQ3KCNQ2ECE1DGAT1CCR2
SCHEMBL2899019 0.92 KCNQ3 (0.47) KCNQ3KCNQ2ECE1DGAT1CCR2
SCHEMBL2893134 0.92 KCNQ3 (0.49) KCNQ3KCNQ2ECE1DGAT1CCR2
SCHEMBL2891751 0.91 KCNQ3 (0.48) KCNQ3KCNQ2ECE1DGAT1CCR2
SCHEMBL2891116 0.91 PTGS2 (0.47) KCNQ3KCNQ2ECE1DGAT1CCR2
SCHEMBL2898446 0.90 KCNQ3 (0.49) KCNQ3KCNQ2ECE1DGAT1CCR2
SCHEMBL2898528 0.90 KCNQ3 (0.47) KCNQ3KCNQ2ECE1DGAT1CCR2
SCHEMBL2903260 0.89 DGAT1 (0.51) KCNQ3KCNQ2DGAT1ROCK1PTGS1
SCHEMBL1100478 0.88 KCNQ3 (0.47) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL2896126 0.88 ECE1 (0.47) KCNQ3KCNQ2ECE1DGAT1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNQ3 1390/4885KCNQ2 2051/4885ECE1 1214/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 KCNQ3 1390/4885KCNQ2 2051/4885ECE1 1214/4885

“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.