SCHEMBL2900716

SCHEMBL2900716

O=C(Nc1ccc(Cl)nc1)c1cc2cc(C(F)(F)F)ccc2n1Cc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.54
KCNQ2 O43526 5/20 0.54
KCNE1 P15382 5/20 0.54
KCNQ1 P51787 5/20 0.54
ECE1 P42892 3/20 0.53
CCR2 P41597 1/20 0.49
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
FLT1 P17948 2/20 0.45
KDR P35968 2/20 0.45
PPARG P37231 3/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
CCR9 P51686 2/20 0.43
KMT2A Q03164 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL2892433 0.89 ECE1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1ECE1
SCHEMBL2895485 0.86 MAPT (0.49) KCNQ3KCNQ2CCR2HIF1AEPAS1
SCHEMBL27808797 0.84 CCR2 (0.44) ECE1CCR2HIF1AEPAS1FLT1
SCHEMBL1053339 0.81 TRPV1 (0.45) ECE1CCR2HIF1AEPAS1FLT1
SCHEMBL3575898 0.80 RAB9A (0.51) CCR2HIF1AEPAS1FLT1KDR
SCHEMBL2900643 0.79 MAPT (0.49) KCNQ3KCNQ2CCR2HIF1AEPAS1
SCHEMBL2894997 0.79 CCR2 (0.71) CCR2PPARGCCR9
SCHEMBL2900723 0.78 ECE1 (0.58) KCNQ3KCNQ2KCNE1KCNQ1ECE1
SCHEMBL27779932 0.78 CCR2 (0.57) CCR2HIF1AEPAS1PPARGJAK2
SCHEMBL27829310 0.77 CCR2 (0.44) CCR2HIF1AEPAS1FLT1KDR

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 7 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
EP-2049525-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2009-04-22 EP disclosed
WO-2008015335-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2008-02-07 WO 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 2051/4885KCNE1 1865/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 KCNQ3 1390/4885KCNQ2 2051/4885KCNE1 1865/4885

“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.