SCHEMBL832307

SCHEMBL832307

O=C(Nc1ccc2c(c1)nc1n2CCC1)c1cc2cc(C(F)(F)F)cnc2n1Cc1ccc2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX5AP P20292 2/20 0.38
KDM1A O60341 1/20 0.37
MAPK1 P28482 4/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
USP2 O75604 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
FAAH O00519 1/20 0.36
APP P05067 3/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL832460 0.89 MAPT (0.45) MEN1KMT2AKDM1AMAPK1TP53
SCHEMBL832608 0.87 TP53 (0.47) MEN1KMT2AKDM1AMAPK1TP53
SCHEMBL831297 0.79 MAPT (0.46) MEN1KMT2AMAPK1TP53MAPT
SCHEMBL1093248 0.77 RAB9A (0.39) MAPTNPC1RAB9ALMNAAPP
SCHEMBL830392 0.76 ALDH1A1 (0.48) MEN1KMT2AKDM1AMAPK1TP53
SCHEMBL3111353 0.76 ALOX5AP (0.41) ALOX5APFAAH
SCHEMBL831020 0.75 MAPT (0.41) MEN1KMT2AKDM1AMAPK1TP53
SCHEMBL831742 0.74 TP53 (0.51) MEN1KMT2AKDM1AMAPK1TP53
SCHEMBL833860 0.72 ALDH1A1 (0.47) MEN1KMT2AKDM1AMAPK1TP53
SCHEMBL832224 0.72 NOD2 (0.41) MEN1KMT2AALOX5APMAPTNPC1

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-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
EP-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 MEN1 2553/4885KMT2A 998/4885ALOX5AP 3341/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS MEN1 2671/4885KMT2A 942/4885ALOX5AP 3259/4885

“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.