SCHEMBL306624

SCHEMBL306624

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

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.79
LSS P48449 1/20 0.72
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 1/20 0.62
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NAMPT P43490 2/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL307874 0.89 ROCK2 (0.82) ROCK2LSSCYP3A4CYP2C19ALDH1A1
SCHEMBL319411 0.89 ROCK2 (0.82) ROCK2LSSCYP3A4CYP2C19NAMPT
SCHEMBL10159692 0.88 ROCK2 (1.00) ROCK2LSSCYP3A4CYP2C19NAMPT
SCHEMBL317307 0.88 ROCK2 (0.81) ROCK2LSSCYP3A4CYP2C19NAMPT
SCHEMBL307464 0.87 ROCK2 (0.76) ROCK2LSSCYP3A4CYP2C19NPC1
SCHEMBL10159843 0.87 ROCK2 (1.00) ROCK2LSSCYP3A4CYP2C19NAMPT
SCHEMBL10159840 0.86 ROCK2 (1.00) ROCK2LSSCYP3A4CYP2C19NAMPT
SCHEMBL321410 0.86 ROCK2 (0.81) ROCK2LSSCYP3A4CYP2C19NAMPT
SCHEMBL307274 0.86 ROCK2 (1.00) ROCK2LSSCYP3A4CYP2C19NAMPT
SCHEMBL307242 0.85 ROCK2 (0.82) ROCK2LSSCYP3A4CYP2C19NAMPT

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 14 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
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 4/4885LSS 2213/4885CYP3A4 2048/4885

“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.