SCHEMBL831976

SCHEMBL831976

CC1Cn2c(nc3ccc(N)cc32)CN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.35
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 8/20 0.33
GFER P55789 3/20 0.33
NSD2 O96028 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
IKZF3 Q9UKT9 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL12476746 0.72 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL6921496 0.66 CACNA2D1 (0.47) SIGMAR1HRH4NPC1RAB9A
SCHEMBL12476436 0.66 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL832138 0.64 POLB (0.48) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL12477091 0.64 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL831453 0.63 KDM4E (0.35) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL831370 0.63 HRH4 (0.37) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL831803 0.63 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL421302 0.61 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL832273 0.61 MAPT (0.36) KDM4EALDH1A1HPGDMAPTGFER

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 KDM4E 1876/4885ALDH1A1 453/4885HSD17B10 1905/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS KDM4E 1797/4885ALDH1A1 484/4885HSD17B10 1941/4885

“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.