SCHEMBL840099

SCHEMBL840099

CN1Cn2c1nc1cc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
RAD52 P43351 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.41
GFER P55789 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NSD2 O96028 1/20 0.41
PRKCI P41743 1/20 0.40
HTT P42858 3/20 0.39
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL840002 0.85 KDM4E (0.42) KDM4ERAD52ALDH1A1MAPTGFER
SCHEMBL839639 0.83 KDM4E (0.42) KDM4ERAD52ALDH1A1MAPTGFER
SCHEMBL839638 0.83 KDM4E (0.42) KDM4ERAD52ALDH1A1MAPTGFER
SCHEMBL6235131 0.72 ALDH1A1 (0.47) KDM4ERAD52ALDH1A1MAPTGFER
SCHEMBL831370 0.72 HRH4 (0.37) KDM4EALDH1A1MAPTNSD2PRKCI
SCHEMBL25598202 0.71 ALDH1A1 (0.49) KDM4ERAD52ALDH1A1MAPTGFER
SCHEMBL839843 0.70 ALDH1A1 (0.41) KDM4ERAD52ALDH1A1MAPTGFER
SCHEMBL2734327 0.69 KDM4E (0.52) KDM4ERAD52ALDH1A1MAPTGFER
SCHEMBL31349442 0.69 MAPT (0.48) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL3574868 0.69 KDM4E (0.47) KDM4ERAD52ALDH1A1MAPTGFER

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 4 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
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 KDM4E 1876/4885RAD52 3831/4885ALDH1A1 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 KDM4E 1797/4885RAD52 3852/4885ALDH1A1 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.