SCHEMBL10160167

SCHEMBL10160167

CN(C)CCc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C(N)=O)cc3)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.81
PRKCE Q02156 1/20 0.58
PRKG1 Q13976 1/20 0.58
PKN2 Q16513 1/20 0.58
CYP3A4 P08684 2/20 0.56
HRH3 Q9Y5N1 1/20 0.52
CYP2C19 P33261 1/20 0.52
NAMPT P43490 3/20 0.47
PLAU P00749 1/20 0.46

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) ROCK2PRKCEPRKG1PKN2CYP3A4
SCHEMBL307348 0.86 ROCK2 (0.82) ROCK2PKN2CYP3A4HRH3CYP2C19
SCHEMBL10159840 0.84 ROCK2 (1.00) ROCK2PRKCEPRKG1PKN2CYP3A4
SCHEMBL307307 0.82 ROCK2 (0.86) ROCK2PRKCEPRKG1PKN2CYP3A4
SCHEMBL308121 0.82 ROCK2 (0.82) ROCK2PRKG1CYP3A4HRH3CYP2C19
SCHEMBL307874 0.80 ROCK2 (0.82) ROCK2PRKCEPRKG1PKN2CYP3A4
SCHEMBL319411 0.80 ROCK2 (0.82) ROCK2PRKCEPRKG1PKN2CYP3A4
SCHEMBL25718966 0.79 ROCK2 (0.68) ROCK2PRKG1PKN2CYP3A4CYP2C19
SCHEMBL307838 0.79 ROCK2 (0.81) ROCK2PRKCEPRKG1PKN2CYP3A4
SCHEMBL10159843 0.79 ROCK2 (1.00) ROCK2PRKCEPRKG1PKN2CYP3A4

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 6 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 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
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 4/4885PRKCE 116/4885PRKG1 9/4885

“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.