SCHEMBL2898536

SCHEMBL2898536

COc1cc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cnc1N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.47
GRIN1 Q05586 5/20 0.46
GRIN2B Q13224 5/20 0.46
F10 P00742 1/20 0.46
MAPT P10636 5/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
ECE1 P42892 1/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2898195 0.90 MAPT (0.44) ABCB1GRIN1GRIN2BF10MAPT
SCHEMBL2895004 0.85 GRIN1 (0.46) ABCB1GRIN1GRIN2BF10MAPT
SCHEMBL2898360 0.85 SCD (0.45) ABCB1F10MAPTKMT2AMEN1
SCHEMBL2893134 0.83 KCNQ3 (0.49) ABCB1F10MAPTRAB9ASCD
SCHEMBL2891751 0.82 KCNQ3 (0.48) ABCB1F10MAPTRAB9ASCD
SCHEMBL2894989 0.81 KCNQ3 (0.47) ABCB1F10MAPTKDM4ERAB9A
SCHEMBL926034 0.81 ABCB1 (0.46) ABCB1F10ECE1
SCHEMBL926868 0.80 ABCB1 (0.45) ABCB1F10MAPTSCDSCD5
SCHEMBL1052136 0.79 F10 (0.42) ABCB1F10MAPTKMT2AKDM4E
SCHEMBL2898534 0.79 F10 (0.43) F10MAPTLMNARAB9ASCD

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 ABCB1 1470/4885GRIN1 155/4885GRIN2B 242/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 ABCB1 1470/4885GRIN1 155/4885GRIN2B 242/4885

“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.