SCHEMBL307789

SCHEMBL307789

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

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.85
CYP3A4 P08684 3/20 0.69
CYP2C19 P33261 2/20 0.67
PKN2 Q16513 1/20 0.53
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
NAMPT P43490 1/20 0.50
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL307593 0.93 ROCK2 (0.80) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL307274 0.92 ROCK2 (1.00) ROCK2CYP3A4CYP2C19PKN2SIRT2
SCHEMBL307307 0.86 ROCK2 (0.86) ROCK2CYP3A4CYP2C19PKN2SMN1; SMN2
SCHEMBL308622 0.86 ROCK2 (0.69) ROCK2CYP3A4CYP2C19
SCHEMBL307927 0.86 ROCK2 (0.89) ROCK2CYP3A4CYP2C19PKN2NAMPT
SCHEMBL307925 0.85 ROCK2 (0.87) ROCK2CYP3A4CYP2C19PKN2
SCHEMBL306291 0.84 ROCK2 (0.70) ROCK2CYP3A4CYP2C19SIRT2EPHX2
SCHEMBL307583 0.84 ROCK2 (0.80) ROCK2CYP3A4CYP2C19NAMPTSMN1; SMN2
SCHEMBL15819484 0.84 ROCK2 (0.72) ROCK2CYP3A4CYP2C19PKN2TMEM97
SCHEMBL306526 0.83 ROCK2 (0.80) ROCK2CYP3A4CYP2C19TMEM97SIGMAR1

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 13 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
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.