SCHEMBL307876

SCHEMBL307876

COc1ccc(C(=O)NCc2cccc(C(=O)N(Cc3ccccn3)c3ccc4c(c3)CNCC4)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.63
PRKG1 Q13976 2/20 0.63
CYP3A4 P08684 3/20 0.46
ROCK1 Q13464 3/20 0.46
CYP2C9 P11712 1/20 0.46
SYK P43405 3/20 0.45
PKN2 Q16513 2/20 0.45
PRKCE Q02156 1/20 0.44
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL307305 0.91 ROCK2 (0.69) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL307634 0.89 ROCK2 (0.65) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL307066 0.88 ROCK2 (0.64) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL307179 0.87 ROCK2 (0.71) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL307226 0.87 ROCK2 (0.66) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL307345 0.87 ROCK2 (0.66) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL307836 0.86 ROCK2 (0.64) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL307751 0.86 ROCK2 (0.65) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL307754 0.86 ROCK2 (0.65) ROCK2PRKG1CYP3A4ROCK1CYP2C9
SCHEMBL306959 0.86 ROCK2 (0.69) ROCK2PRKG1CYP3A4ROCK1CYP2C9

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-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
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 9/4885CYP3A4 2048/4885

“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.