SCHEMBL167703

SCHEMBL167703

Cc1nocc1NC(=O)c1cc(-c2cnn(C)c2)c(CN2CCOCC2)cc1OCc1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
BCL3 P20749 1/20 0.40
MET P08581 1/20 0.40
KMT2A Q03164 1/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
GPR6 P46095 2/20 0.38
MAPK14 Q16539 1/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
WDR5 P61964 3/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL165026 0.92 LRRK2 (0.46) GSK3BDYRK1AHTR2AKCNH2MET
SCHEMBL164222 0.86 MAPK14 (0.44) HTR2AKCNH2BCL3KMT2APDCD1
SCHEMBL167926 0.84 LRRK2 (0.55) GSK3BDYRK1AHTR2AKCNH2CCNC
SCHEMBL257156 0.81 LRRK2 (0.43) BCL3PDCD1CD274CCNCCDK8
SCHEMBL168274 0.78 CCR5 (0.40) BCL3METKMT2APDCD1CD274
SCHEMBL1648573 0.78 RAB9A (0.47) HTR2AKCNH2BCL3KMT2AMAPK14
SCHEMBL256260 0.76 LRRK2 (0.46) AXLMERTKLRRK2ALDH1A1
SCHEMBL167588 0.76 LRRK2 (0.67) GSK3BDYRK1AMETCCNCCDK8
SCHEMBL1647863 0.74 LRRK2 (0.53) GSK3BDYRK1AHTR2AKCNH2WDR5
SCHEMBL166755 0.73 HCRTR1 (0.47) GSK3BDYRK1AMETCCNCCDK8

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 GSK3B 43/4885DYRK1A 302/4885HTR2A 1431/4885

“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.