SCHEMBL10159692

SCHEMBL10159692

CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C(N)=O)cc3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 1.00
CYP3A4 P08684 2/20 0.68
CYP2C19 P33261 1/20 0.63
PRKCE Q02156 1/20 0.60
PRKG1 Q13976 1/20 0.60
PKN2 Q16513 1/20 0.60
LSS P48449 1/20 0.55
AURKA O14965 1/20 0.50
RPS6KB1 P23443 1/20 0.50
PLAU P00749 1/20 0.47
NAMPT P43490 2/20 0.47

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
SCHEMBL10159840 0.94 ROCK2 (1.00) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL307307 0.93 ROCK2 (0.86) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL319411 0.90 ROCK2 (0.82) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL307874 0.90 ROCK2 (0.82) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL10160167 0.90 ROCK2 (0.81) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL307838 0.89 ROCK2 (0.81) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL306624 0.88 ROCK2 (0.79) ROCK2CYP3A4CYP2C19LSSNAMPT
SCHEMBL10159843 0.88 ROCK2 (1.00) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL321410 0.88 ROCK2 (0.81) ROCK2CYP3A4CYP2C19PRKCEPRKG1
SCHEMBL307464 0.86 ROCK2 (0.76) ROCK2CYP3A4CYP2C19LSSNAMPT

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 4/4885CYP3A4 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.