SCHEMBL168720

SCHEMBL168720

Cn1cc(-c2cc(C(=O)Nc3cccnc3)c(OCc3ccccc3)cc2CN2CCOCC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.66
MET P08581 2/20 0.53
SGMS2 Q8NHU3 1/20 0.51
CYP3A4 P08684 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
CCNC P24863 2/20 0.48
CDK8 P49336 2/20 0.48
CDK19 Q9BWU1 2/20 0.48

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
SCHEMBL167588 0.94 LRRK2 (0.67) LRRK2METSGMS2CCNCCDK8
SCHEMBL10192559 0.91 LRRK2 (0.60) LRRK2CYP3A4SLCO1B1
SCHEMBL176025 0.91 LRRK2 (0.67) LRRK2METSGMS2CCNCCDK8
SCHEMBL168574 0.89 MET (0.51) LRRK2METCYP3A4SLCO1B1CCNC
SCHEMBL167926 0.88 LRRK2 (0.55) LRRK2SGMS2CCNCCDK8CDK19
SCHEMBL256246 0.87 LRRK2 (0.67) LRRK2METSGMS2CYP3A4SLCO1B1
SCHEMBL168887 0.85 LRRK2 (0.61) LRRK2METSGMS2CYP3A4SLCO1B1
SCHEMBL168867 0.84 LRRK2 (0.76) LRRK2METSGMS2
SCHEMBL15204854 0.84 LRRK2 (0.61) LRRK2METSGMS2CYP3A4SLCO1B1
SCHEMBL167994 0.83 LRRK2 (0.60) LRRK2METSGMS2CYP3A4SLCO1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611772-B1 2-(BENZYLOXY)BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-09-24 EP claimed
US-9365551-B2 2-(benzyloxy) benzamides as LRRK2 kinase inhibitors GLAXO GROUP LIMITED (GB) 2016-06-14 US disclosed
US-9365551-B2 2-(benzyloxy) benzamides as LRRK2 kinase inhibitors GLAXO GROUP LIMITED (GB) 2016-06-14 US disclosed
EP-2611772-B1 2-(BENZYLOXY)BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-09-24 EP disclosed
EP-2611772-B1 2-(BENZYLOXY)BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-09-24 EP disclosed
US-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-08-29 US disclosed
US-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-08-29 US disclosed
EP-2611772-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-10 EP disclosed
WO-2012028629-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028629-A1 2 - (BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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 (1 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-20130225584-A1 2-(BENZYLOXY) BENZAMIDES AS LRRK2 KINASE INHIBITORS LRRK2, PARK7, BRSK2 LRRK2 1/4885MET 3646/4885SGMS2 3130/4885

“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.