SCHEMBL306629

SCHEMBL306629

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C19 P33261 1/20 0.70
MAPK14 Q16539 1/20 0.52
MMP13 P45452 2/20 0.51
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MCHR1 Q99705 1/20 0.48
ROCK1 Q13464 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL306324 0.88 ROCK2 (0.78) ROCK2CYP3A4CYP2C19MMP13ALDH1A1
SCHEMBL307583 0.87 ROCK2 (0.80) ROCK2CYP3A4CYP2C19MMP13
SCHEMBL307464 0.85 ROCK2 (0.76) ROCK2CYP3A4CYP2C19
SCHEMBL307681 0.85 ROCK2 (0.76) ROCK2CYP3A4CYP2C19MMP13HPGD
SCHEMBL306949 0.84 ROCK2 (1.00) ROCK2CYP3A4CYP2C19ROCK1
SCHEMBL306954 0.83 ROCK2 (0.83) ROCK2CYP3A4CYP2C19ALDH1A1ROCK1
SCHEMBL307984 0.83 ROCK2 (0.75) ROCK2CYP3A4CYP2C19MMP13MEN1
SCHEMBL307149 0.83 ROCK2 (1.00) ROCK2CYP3A4CYP2C19ROCK1
SCHEMBL306951 0.82 ROCK2 (0.84) ROCK2CYP3A4CYP2C19ROCK1
SCHEMBL307627 0.82 ROCK2 (0.86) ROCK2CYP3A4CYP2C19MAPK14ROCK1

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 14 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
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
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.