SCHEMBL307874

SCHEMBL307874

CC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.82
CYP3A4 P08684 2/20 0.67
CYP2C19 P33261 1/20 0.64
LSS P48449 1/20 0.56
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
PRKCE Q02156 1/20 0.49
PRKG1 Q13976 1/20 0.49
PKN2 Q16513 1/20 0.49
TSHR P16473 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
SCHEMBL10159692 0.90 ROCK2 (1.00) ROCK2CYP3A4CYP2C19LSSPRKCE
SCHEMBL319411 0.89 ROCK2 (0.82) ROCK2CYP3A4CYP2C19LSSPRKCE
SCHEMBL306624 0.89 ROCK2 (0.79) ROCK2CYP3A4CYP2C19LSSALDH1A1
SCHEMBL307464 0.87 ROCK2 (0.76) ROCK2CYP3A4CYP2C19LSS
SCHEMBL10159840 0.86 ROCK2 (1.00) ROCK2CYP3A4CYP2C19LSSPRKCE
SCHEMBL307274 0.86 ROCK2 (1.00) ROCK2CYP3A4CYP2C19LSSPOLB
SCHEMBL321410 0.86 ROCK2 (0.81) ROCK2CYP3A4CYP2C19LSSPRKCE
SCHEMBL307242 0.85 ROCK2 (0.82) ROCK2CYP3A4CYP2C19LSSPRKG1
SCHEMBL307984 0.85 ROCK2 (0.75) ROCK2CYP3A4CYP2C19KMT2A
SCHEMBL317307 0.84 ROCK2 (0.81) ROCK2CYP3A4CYP2C19LSSPRKCE

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.