SCHEMBL307022

SCHEMBL307022

COc1ncc(C(=O)NCc2cccc(C(=O)N(C)c3ccc4c(c3)CNCC4)c2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.53
PRKG1 Q13976 2/20 0.53
PKN2 Q16513 2/20 0.43
PRKCE Q02156 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
WDR5 P61964 4/20 0.40
ROCK1 Q13464 3/20 0.40
HPGDS O60760 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2 P17301 1/20 0.38

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
SCHEMBL308004 0.88 ROCK2 (0.65) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307511 0.88 ROCK2 (0.57) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307514 0.85 ROCK2 (0.53) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307474 0.85 ROCK2 (0.61) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307811 0.85 ROCK2 (0.57) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307440 0.84 ROCK2 (0.54) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL306796 0.83 ROCK2 (0.76) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307715 0.82 ROCK2 (0.66) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307158 0.82 ROCK2 (0.66) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL306382 0.82 ROCK2 (0.58) ROCK2PRKG1PKN2PRKCECYP3A4

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 9 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
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
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
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP 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 9/4885PKN2 332/4885

“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.