SCHEMBL307313

SCHEMBL307313

COc1ccc(C(=O)N(C)Cc2cccc(C(=O)Nc3ccc4c(c3)CCNC4)c2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.76
PRKG1 Q13976 2/20 0.71
ITGB3 P05106 4/20 0.55
ITGA2 P17301 4/20 0.55
ITGA2B P08514 2/20 0.55
CYP3A4 P08684 4/20 0.53
PKN2 Q16513 2/20 0.52
PRKCE Q02156 1/20 0.52
F2 P00734 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
KLKB1 P03952 1/20 0.49
PRSS1 P07477 1/20 0.49
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MELK Q14680 2/20 0.45
MAPK14 Q16539 1/20 0.45
NR2F2 P24468 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL306739 0.86 ROCK2 (1.00) ROCK2PRKG1ITGB3ITGA2ITGA2B
SCHEMBL11729866 0.85 ROCK2 (0.77) ROCK2PRKG1ITGB3ITGA2ITGA2B
SCHEMBL306708 0.83 ROCK2 (1.00) ROCK2PRKG1ITGB3ITGA2ITGA2B
SCHEMBL306920 0.82 ROCK2 (0.85) ROCK2PRKG1ITGB3ITGA2ITGA2B
Hydrochloric Acid SCHEMBL309083 0.82 ROCK2 (0.98) ROCK2PRKG1ITGB3ITGA2ITGA2B
SCHEMBL306378 0.81 ROCK2 (0.90) ROCK2PRKG1ITGB3ITGA2ITGA2B
SCHEMBL308958 0.80 ROCK2 (0.56) ROCK2PRKG1CYP3A4ALDH1A1NR2F2
SCHEMBL307271 0.80 ROCK2 (0.88) ROCK2PRKG1ITGB3ITGA2ITGA2B
SCHEMBL307386 0.79 ROCK2 (0.70) ROCK2PRKG1ITGB3ITGA2ITGA2B
SCHEMBL307798 0.79 ROCK2 (0.86) ROCK2PRKG1ITGB3ITGA2ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP claimed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP claimed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO claimed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 ROCK2 4/4885PRKG1 9/4885ITGB3 4516/4885

“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.