SCHEMBL4157656

SCHEMBL4157656

CNc1ccc(NC(=O)c2cc3cc(F)ccc3n2Cc2ccncc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.49
CCR2 P41597 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.42
GRM4 Q14833 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4146206 0.91 ECE1 (0.53) ECE1CCR2MAPTTP53PTGDR2
SCHEMBL4145769 0.89 ECE1 (0.51) ECE1CCR2PTGDR2MAOBALDH1A1
SCHEMBL2892433 0.87 ECE1 (0.56) ECE1CCR2MAPTTP53PTGDR2
SCHEMBL4143267 0.86 MAPT (0.42) ECE1CCR2MAPTTP53PTGDR2
SCHEMBL4156219 0.84 ECE1 (0.67) ECE1
SCHEMBL2898446 0.83 KCNQ3 (0.49) ECE1CCR2MAPTMAOBNPC1
SCHEMBL2899019 0.83 KCNQ3 (0.47) ECE1CCR2MAPTTP53MAOB
SCHEMBL15361984 0.81 MAOB (0.48) ECE1CCR2MAPTTP53PTGDR2
SCHEMBL4151194 0.81 CCR2 (0.41) ECE1CCR2MAPTTP53PTGDR2
SCHEMBL974016 0.80 ECE1 (0.60) ECE1CCR2MAPTTP53MAOB

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 2326/4885CCR2 1632/4885MAPT 2838/4885
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO1, IDO2, CNKSR1 ECE1 1630/4885CCR2 912/4885MAPT 3749/4885

“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.