SCHEMBL307593

SCHEMBL307593

CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3cccc(C#N)c3)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.80
CYP3A4 P08684 3/20 0.67
CYP2C19 P33261 2/20 0.65
CCR2 P41597 1/20 0.50
PKN2 Q16513 1/20 0.49
CHRM3 P20309 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL307789 0.93 ROCK2 (0.85) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL307925 0.90 ROCK2 (0.87) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL5099622 0.89 ROCK2 (0.62) ROCK2CYP3A4CYP2C19CHRM3
SCHEMBL307274 0.89 ROCK2 (1.00) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL308622 0.85 ROCK2 (0.69) ROCK2CYP3A4CYP2C19
SCHEMBL306324 0.84 ROCK2 (0.78) ROCK2CYP3A4CYP2C19
SCHEMBL307838 0.84 ROCK2 (0.81) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL5094235 0.83 ROCK2 (0.59) ROCK2CCR2CHRM3
SCHEMBL307681 0.83 ROCK2 (0.76) ROCK2CYP3A4CYP2C19
SCHEMBL307307 0.83 ROCK2 (0.86) ROCK2CYP3A4CYP2C19PKN2

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 9 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
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.