SCHEMBL306438

SCHEMBL306438

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3cnc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.60
CYP3A4 P08684 4/20 0.60
PRKG1 Q13976 1/20 0.54
NAMPT P43490 1/20 0.47
ROCK1 Q13464 6/20 0.46
CYP2C9 P11712 1/20 0.46
WDR5 P61964 1/20 0.45
THRB P10828 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C19 P33261 1/20 0.44

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
SCHEMBL306858 0.88 ROCK2 (0.77) ROCK2CYP3A4PRKG1ROCK1
SCHEMBL306605 0.84 ROCK2 (0.64) ROCK2CYP3A4PRKG1NAMPTWDR5
SCHEMBL306740 0.80 ROCK2 (0.76) ROCK2CYP3A4PRKG1ROCK1CYP2C9
SCHEMBL29546523 0.77 MAPT (0.47)
SCHEMBL308958 0.76 ROCK2 (0.56) ROCK2CYP3A4PRKG1NAMPTALDH1A1
SCHEMBL307470 0.76 ROCK2 (0.79) ROCK2CYP3A4PRKG1ROCK1
SCHEMBL306795 0.75 ROCK2 (1.00) ROCK2CYP3A4PRKG1ROCK1
SCHEMBL307178 0.75 ROCK2 (0.82) ROCK2CYP3A4PRKG1ROCK1
SCHEMBL29546044 0.75 ABCB1 (0.49) ALDH1A1L3MBTL1
SCHEMBL308010 0.74 ROCK2 (0.78) ROCK2CYP3A4PRKG1ROCK1

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 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
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
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 4/4885CYP3A4 2048/4885PRKG1 9/4885

“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.