SCHEMBL2898360

SCHEMBL2898360

O=C(Nc1cnc(N2CCCC2)nc1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.45
SCD5 Q86SK9 1/20 0.45
F10 P00742 4/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
KMT2A Q03164 2/20 0.44
MAOB P27338 1/20 0.43
CCR2 P41597 1/20 0.42
ECE1 P42892 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCB1 P08183 1/20 0.42
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNQ2 O43526 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
SCHEMBL2893134 0.89 KCNQ3 (0.49) SCDSCD5F10MAOBCCR2
SCHEMBL2891751 0.88 KCNQ3 (0.48) SCDSCD5F10MAOBCCR2
SCHEMBL2894989 0.87 KCNQ3 (0.47) SCDSCD5F10MAOBCCR2
SCHEMBL2898536 0.85 ABCB1 (0.47) SCDSCD5F10KMT2AECE1
SCHEMBL2896126 0.84 ECE1 (0.47) F10MAOBECE1ABCB1TP53
SCHEMBL939599 0.84 KCNQ3 (0.46) SCDSCD5F10MAOBECE1
SCHEMBL2898528 0.83 KCNQ3 (0.47) SCDSCD5F10PTGS1PTGS2
SCHEMBL2898534 0.83 F10 (0.43) SCDSCD5F10CCR2ECE1
SCHEMBL2891116 0.83 PTGS2 (0.47) SCDSCD5PTGS1PTGS2MAOB
SCHEMBL2899837 0.82 KDM4E (0.47) CCR2ALDH1A1MAPTSMN1; SMN2KCNQ2

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 SCD 4261/4885SCD5 3858/4885F10 1568/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 SCD 4261/4885SCD5 3858/4885F10 1568/4885

“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.