SCHEMBL307307

SCHEMBL307307

CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(C(N)=O)cc3)c2)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.86
CYP3A4 P08684 2/20 0.76
CYP2C19 P33261 1/20 0.70
PRKCE Q02156 1/20 0.52
PRKG1 Q13976 1/20 0.52
PKN2 Q16513 1/20 0.52
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
LSS P48449 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL307838 0.94 ROCK2 (0.81) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL10159692 0.93 ROCK2 (1.00) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL307322 0.88 ROCK2 (0.78) ROCK2CYP3A4CYP2C19AURKARPS6KB1
SCHEMBL307583 0.87 ROCK2 (0.80) ROCK2CYP3A4CYP2C19LSSNPC1
SCHEMBL306291 0.87 ROCK2 (0.70) ROCK2CYP3A4CYP2C19LSSKMT2A
SCHEMBL307789 0.86 ROCK2 (0.85) ROCK2CYP3A4CYP2C19PKN2SMN1; SMN2
SCHEMBL306949 0.86 ROCK2 (1.00) ROCK2CYP3A4CYP2C19PRKG1
SCHEMBL10159840 0.86 ROCK2 (1.00) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL306526 0.86 ROCK2 (0.80) ROCK2CYP3A4CYP2C19KDM4E
SCHEMBL14135072 0.85 ROCK2 (0.68) ROCK2CYP3A4CYP2C19LSS

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.