SCHEMBL3569671

SCHEMBL3569671

CC(c1cccnc1)n1c(C(=O)Nc2ccc3c(ccn3C)c2)cc2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTR2B P41595 3/20 0.53
TP53 P04637 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR2C P28335 4/20 0.52
MAOB P27338 4/20 0.43
IDO1 P14902 1/20 0.42
ECE1 P42892 1/20 0.41
LMNA P02545 2/20 0.39
NOTUM Q6P988 1/20 0.38
GRM4 Q14833 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4656255 0.89 MEN1 (0.47) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL925357 0.82 HTR2B (0.57) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL3569668 0.79 KDM4E (0.53) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL4599683 0.79 IDO1 (0.50) MEN1KMT2AKDM4ETDP1IDO1
SCHEMBL2811261 0.77 HTR2B (0.47) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL925236 0.76 HTR2B (0.47) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL3566596 0.74 IDO1 (0.48) MEN1KMT2ATP53MAPTKDM4E
SCHEMBL926859 0.74 GRM4 (0.49) MEN1KMT2AHTR2BTP53MAPT
SCHEMBL15361984 0.74 MAOB (0.48) MEN1KMT2AHTR2BTP53MAPT
Hydrochloric Acid SCHEMBL3576467 0.73 MAOB (0.47) MEN1KMT2AHTR2BTP53MAPT

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-8735432-B2 N-(Heteroaryl)-1-heteroarylalky1-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 US disclosed
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP disclosed
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof DUBOIS LAURENT (FR) 2013-02-21 US disclosed
US-8318775-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-27 US disclosed
US-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
US-7745467-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-29 US disclosed
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-06-19 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 (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 MEN1 2056/4885KMT2A 1418/4885HTR2B 40/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 MEN1 2056/4885KMT2A 1418/4885HTR2B 40/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 MEN1 2056/4885KMT2A 1418/4885HTR2B 40/4885

“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.