SCHEMBL307462

SCHEMBL307462

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.60
CYP3A4 P08684 4/20 0.60
ROCK1 Q13464 2/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2C19 P33261 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PRKG1 Q13976 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL308960 0.91 ROCK2 (0.67) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1
SCHEMBL307371 0.90 ROCK2 (0.57) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1
SCHEMBL307572 0.81 MAPK1 (0.52) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1
SCHEMBL308121 0.81 ROCK2 (0.82) ROCK2CYP3A4ROCK1CYP2C9CYP2C19
SCHEMBL306761 0.77 ROCK2 (0.74) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1
SCHEMBL306825 0.77 ROCK2 (0.67) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1
SCHEMBL306976 0.77 ROCK2 (0.72) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1
SCHEMBL308392 0.76 ROCK2 (0.71) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1
SCHEMBL307147 0.76 ROCK2 (0.71) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1
SCHEMBL307267 0.75 ROCK2 (0.85) ROCK2CYP3A4ROCK1CYP2C9ALDH1A1

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 2048/4885ROCK1 2/4885

“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.