SCHEMBL4151519

SCHEMBL4151519

CC(=O)Nc1ccc(NC(=O)c2cc3ccc(C(F)(F)F)cc3n2Cc2cccc(F)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.53
KIT P10721 2/20 0.47
KDR P35968 1/20 0.47
MAPK14 Q16539 1/20 0.47
PPARG P37231 8/20 0.46
CCR2 P41597 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
CDK8 P49336 1/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 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
SCHEMBL974016 0.87 ECE1 (0.60) ECE1CCR2TP53MAPTNPC1
SCHEMBL1100887 0.87 ECE1 (0.48) ECE1KITKDRMAPK14PPARG
SCHEMBL2899203 0.84 KDM4E (0.47) PPARGCCR2MAPTALDH1A1KDM4E
SCHEMBL2891109 0.83 PPARG (0.44) PPARGCCR2MAPTKDM4EGRIN1
SCHEMBL11968392 0.82 PPARG (0.45) PPARGCCR2KDM4EGRIN1GRIN2B
SCHEMBL4150551 0.80 PPARG (0.46) ECE1PPARGCCR2GRIN1GRIN2B
SCHEMBL1101536 0.79 NPC1 (0.42) ECE1PPARGMAPTNPC1ALDH1A1
SCHEMBL4145769 0.79 ECE1 (0.51) ECE1CCR2NPC1ALDH1A1KDM4E
SCHEMBL2900996 0.78 TRPV1 (0.45) ECE1MAPTNPC1ALDH1A1KDM4E
SCHEMBL4158624 0.78 PTGDR2 (0.45) ECE1CCR2TP53MAPTGRIN1

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-8481745-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, preparation thereof and therapeutic use therof SANOFI (FR) 2013-07-09 US disclosed
US-20120264944-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEROF SANOFI (FR) 2012-10-18 US disclosed
EP-2046775-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-08-22 EP disclosed
US-8227489-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-07-24 US disclosed
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE 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-20120264944-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEROF IDO2, IDO1, IKZF3 ECE1 2326/4885KIT 734/4885KDR 3397/4885
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO1, IDO2, CNKSR1 ECE1 1630/4885KIT 817/4885KDR 4328/4885

“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.