SCHEMBL2337529

SCHEMBL2337529

NC1C(=O)NC(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
PARP1 P09874 2/20 0.42
CASP3 P42574 2/20 0.42
CASP7 P55210 2/20 0.42
CASP6 P55212 2/20 0.42
CASP8 Q14790 2/20 0.42
CASP2 P42575 1/20 0.42
HSD17B10 Q99714 3/20 0.41
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ANPEP P15144 2/20 0.37
TDP2 O95551 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
SCHEMBL3163873 0.81 IDO1 (0.45) GSK3BPARP1HSD17B10PDGFRAFER
SCHEMBL4115729 0.81 IDO1 (0.45) GSK3BPARP1HSD17B10PDGFRAFER
SCHEMBL3157916 0.81 IDO1 (0.45) GSK3BPARP1HSD17B10PDGFRAFER
SCHEMBL11844924 0.78 GSK3B (0.50) GSK3BHTR2AHTR2CHTR2BPARP1
SCHEMBL5551044 0.76 GSK3B (0.48) GSK3BHTR2AHTR2CHTR2BPARP1
SCHEMBL28979780 0.76 GSK3B (0.48) GSK3BHTR2AHTR2CHTR2BPARP1
SCHEMBL30900692 0.75 IDO1 (0.55) GSK3BPARP1ANPEPIDO1L3MBTL1
SCHEMBL2543645 0.75 IDO1 (0.55) GSK3BPARP1ANPEPIDO1L3MBTL1
SCHEMBL11801695 0.74 HSD17B10 (0.47) GSK3BHTR2AHTR2CHTR2BCASP3
SCHEMBL15627439 0.74 NSD2 (0.47) HSD17B10SMN1; SMN2TNKS2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243808-B1 Isoquinolinediones, process for their preparation, and medicaments containing these compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-07-13 EP claimed
EP-0243808-A2 Isoquinolinediones, process for their preparation, and medicaments containing these compounds Roche Diagnostics GmbH (DE) 1987-11-04 EP claimed
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 US disclosed
US-8609691-B2 Cyclohexylamin isoquinolone derivatives SANOFI (FR) 2013-12-17 US disclosed
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
EP-1912949-B1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2011-08-24 EP disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 US disclosed
EP-1912949-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-23 EP disclosed
WO-2007012422-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 WO disclosed
EP-0243808-B1 Isoquinolinediones, process for their preparation, and medicaments containing these compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-07-13 EP disclosed
US-4824835-A Isoquinolinedione derivatives, pharmaceutical compositions and methods of use BOEHRINGER MANNHEIM GMBH (DE) 1989-04-25 US disclosed
EP-0243808-A2 Isoquinolinediones, process for their preparation, and medicaments containing these compounds Roche Diagnostics GmbH (DE) 1987-11-04 EP 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-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one MYLK, MYLK2, ROCK1 GSK3B 409/4885HTR2A 2345/4885HTR2C 2398/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 GSK3B 244/4885HTR2A 2965/4885HTR2C 3096/4885

“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.