SCHEMBL10159682

SCHEMBL10159682

CN(C)Cc1ccc(CNC(=O)c2cccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)c2)cc1

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.90
CYP3A4 P08684 3/20 0.53
LSS P48449 1/20 0.53
CYP2C19 P33261 2/20 0.51
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
GSPT1 P15170 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
PKN2 Q16513 1/20 0.45

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
SCHEMBL307971 0.95 ROCK2 (0.85) ROCK2CYP3A4LSSCYP2C19EPHX2
SCHEMBL14135138 0.86 ROCK2 (0.72) ROCK2CYP3A4LSSCYP2C19EPHX2
SCHEMBL307274 0.81 ROCK2 (1.00) ROCK2CYP3A4LSSCYP2C19LMNA
SCHEMBL307925 0.80 ROCK2 (0.87) ROCK2CYP3A4LSSCYP2C19ALDH1A1
SCHEMBL317307 0.80 ROCK2 (0.81) ROCK2CYP3A4LSSCYP2C19EPHX2
SCHEMBL10159843 0.80 ROCK2 (1.00) ROCK2CYP3A4LSSCYP2C19EPHX2
SCHEMBL308622 0.80 ROCK2 (0.69) ROCK2CYP3A4LSSCYP2C19
SCHEMBL306624 0.80 ROCK2 (0.79) ROCK2CYP3A4LSSCYP2C19ALDH1A1
SCHEMBL307593 0.78 ROCK2 (0.80) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL307927 0.77 ROCK2 (0.89) 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 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 2048/4885LSS 2213/4885

“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.