SCHEMBL308960

SCHEMBL308960

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3nc(CN(C)C)cs3)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.67
CYP3A4 P08684 4/20 0.67
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 2/20 0.55
ROCK1 Q13464 3/20 0.54
CYP2C9 P11712 1/20 0.54
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PRKG1 Q13976 1/20 0.49

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
SCHEMBL307462 0.91 ROCK2 (0.60) ROCK2CYP3A4CYP2C19ALDH1A1ROCK1
SCHEMBL307371 0.88 ROCK2 (0.57) ROCK2CYP3A4ALDH1A1ROCK1CYP2C9
SCHEMBL307572 0.82 MAPK1 (0.52) ROCK2CYP3A4ALDH1A1ROCK1CYP2C9
SCHEMBL306825 0.82 ROCK2 (0.67) ROCK2CYP3A4CYP2C19ALDH1A1ROCK1
SCHEMBL307267 0.80 ROCK2 (0.85) ROCK2CYP3A4CYP2C19ALDH1A1ROCK1
SCHEMBL306949 0.80 ROCK2 (1.00) ROCK2CYP3A4CYP2C19ROCK1CYP2C9
SCHEMBL307354 0.75 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL306511 0.75 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL306512 0.75 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL3609921 0.75 ROCK2 (0.78) ROCK2CYP3A4ALDH1A1ROCK1CYP2C9

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 15 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-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 2048/4885CYP2C19 1265/4885

“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.