SCHEMBL831803

SCHEMBL831803

Nc1ccc2nc3n(c2c1)CCN3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 4/20 0.44
POLB P06746 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MAPK10 P53779 1/20 0.35
MAPT P10636 5/20 0.35
TGFBR1 P36897 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 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
SCHEMBL12477091 0.91 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL831804 0.87 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL30525511 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL24329882 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL24329598 0.81 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL31249024 0.76 KDM4E (0.61) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL12476746 0.75 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL830827 0.75 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL13057965 0.73 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL21321091 0.73 TGFBR1 (0.40) KDM4EALDH1A1HSD17B10HPGDPOLB

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 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.