SCHEMBL831370

SCHEMBL831370

CN1CCn2c1nc1ccc(N)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
NSD2 O96028 1/20 0.37
HSD17B10 Q99714 3/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
CASP6 P55212 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
PRKCI P41743 1/20 0.35
CYP1A2 P05177 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
SCHEMBL840002 0.87 KDM4E (0.42) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL839638 0.78 KDM4E (0.42) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL839639 0.78 KDM4E (0.42) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL7692861 0.76 POLB (0.56) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL840099 0.72 KDM4E (0.43) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL832462 0.72 KMT2A (0.48) HRH4MAPTSMN1; SMN2TP53CYP1A2
SCHEMBL31349416 0.71 MAPT (0.51) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL14824462 0.71 MAPT (0.51) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL18965901 0.68 KDM4E (0.43) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL6233839 0.68 CDK1 (0.38) HRH4ALDH1A1MAPTHPGDHTT

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-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
EP-1987010-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007088277-A1 TRICYCLIC Ν-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-09 WO 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 HRH4 437/4885KDM4E 1876/4885ALDH1A1 453/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS HRH4 485/4885KDM4E 1797/4885ALDH1A1 484/4885

“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.