SCHEMBL15745368

SCHEMBL15745368

CCCNc1ccc2c(ccn2-c2cnc(C)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.39
DHODH Q02127 1/20 0.37
MAPT P10636 4/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
CASR P41180 1/20 0.34
KCNH2 Q12809 1/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX2 P34913 1/20 0.33
EGFR P00533 1/20 0.33
ROCK1 Q13464 2/20 0.33
BRPF1 P55201 1/20 0.33
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
NPC1 O15118 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL18661402 0.89 KDM4E (0.40) DGAT1DHODHMAPTTRPM5KCNH2
SCHEMBL16167711 0.82 STIM1 (0.36) DGAT1DHODHMAPTTRPM5KCNH2
SCHEMBL16167708 0.81 DHODH (0.44) DHODHMAPTKCNH2RAB9AKDM4E
SCHEMBL17250107 0.80 KCNH2 (0.37) DGAT1DHODHMAPTTRPM5CASR
SCHEMBL16167710 0.75 PTK2 (0.39) MAPTTRPM5CASRRAB9ACYP1A2
SCHEMBL15745372 0.75 DGAT1 (0.40) DGAT1MAPTCASRRAB9ACYP1A2
SCHEMBL15732828 0.74 ROCK1 (0.50) DGAT1MAPTKCNH2RAB9AALDH1A1
SCHEMBL2364027 0.73 DHODH (0.42) DHODHKCNH2APP
SCHEMBL15745367 0.72 PIM1 (0.48) DGAT1KCNH2
SCHEMBL16167701 0.71 EGFR (0.50) RAB9AEGFRNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099979-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2018-04-12 US disclosed
US-9879031-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2018-01-30 US disclosed
US-20170305928-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2017-10-26 US disclosed
US-9796729-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-10-24 US disclosed
US-9738658-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2017-08-22 US disclosed
US-20170081342-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2017-03-23 US disclosed
US-20150322082-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-11-12 US disclosed
US-20140148437-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-29 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 (5 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-20180099979-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT DGAT1 1/4885DHODH 115/4885MAPT 2260/4885
US-20170081342-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885DHODH 543/4885MAPT 1843/4885
US-20140148437-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885DHODH 543/4885MAPT 1843/4885
US-20170305928-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT DGAT1 1/4885DHODH 121/4885MAPT 2160/4885
US-20150322082-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DGAT1 1/4885DHODH 543/4885MAPT 1843/4885

“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.