SCHEMBL3613367

SCHEMBL3613367

CC(C)c1nc2cc(N)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
MAPT P10636 6/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 3/20 0.45
HSD17B10 Q99714 3/20 0.45
POLB P06746 2/20 0.45
GFER P55789 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.45
RAD52 P43351 1/20 0.44
NSD2 O96028 1/20 0.42
BRPF1 P55201 2/20 0.41
PRKCI P41743 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3625454 0.86 AAK1 (0.44) ALDH1A1KDM4EMAPTHTTNPC1
SCHEMBL12269122 0.81 HDAC6 (0.43) ALDH1A1KDM4EMAPTHTTNPC1
SCHEMBL12317672 0.81 KDM4E (0.48) KDM4EMAPTNPC1HSD17B10MEN1
SCHEMBL12869467 0.79 ESR1 (0.46) KDM4EHTTKMT2ALMNACNR2
SCHEMBL4790064 0.79 MEN1 (0.42) ALDH1A1KDM4EMAPTNPC1HSD17B10
SCHEMBL2734327 0.78 KDM4E (0.52) ALDH1A1KDM4EMAPTHTTNPC1
SCHEMBL12376560 0.77 PIK3CD (0.53) ALDH1A1KDM4EMAPTHTTNPC1
SCHEMBL5226280 0.77 KDM4E (0.44) ALDH1A1KDM4EMAPTHTTNPC1
SCHEMBL20132595 0.77 HDAC6 (0.40) ALDH1A1KDM4EMAPTHTTNPC1
SCHEMBL16367615 0.77 KCNH2 (0.37) KDM4EKMT2ALMNAKCNH2CNR2

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
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP claimed
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof DUBOIS LAURENT (FR) 2013-02-21 US claimed
US-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-09-02 US claimed
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-06-19 US claimed
EP-1910335-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-16 EP claimed
WO-2007010144-A1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 ALDH1A1 862/4885KDM4E 1499/4885MAPT 3396/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 ALDH1A1 862/4885KDM4E 1499/4885MAPT 3396/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 ALDH1A1 862/4885KDM4E 1499/4885MAPT 3396/4885

“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.