SCHEMBL306954

SCHEMBL306954

COc1cc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc(OC)c1OC

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.83
CYP3A4 P08684 2/20 0.83
CYP2C19 P33261 2/20 0.77
LMNA P02545 2/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
GFER P55789 1/20 0.55
MCL1 Q07820 1/20 0.55
DRD2 P14416 1/20 0.54
ACHE P22303 1/20 0.54
SLC6A2 P23975 1/20 0.54
DRD3 P35462 1/20 0.54
KCNH2 Q12809 1/20 0.54
ROCK1 Q13464 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PRKG1 Q13976 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
SCHEMBL306949 0.91 ROCK2 (1.00) ROCK2CYP3A4CYP2C19LMNAROCK1
SCHEMBL308006 0.90 ROCK2 (0.80) ROCK2CYP3A4CYP2C19ROCK1PRKG1
SCHEMBL307627 0.88 ROCK2 (0.86) ROCK2CYP3A4CYP2C19LMNAROCK1
SCHEMBL307681 0.88 ROCK2 (0.76) ROCK2CYP3A4CYP2C19LMNAMAPT
SCHEMBL307149 0.87 ROCK2 (1.00) ROCK2CYP3A4CYP2C19ROCK1PRKG1
SCHEMBL306324 0.87 ROCK2 (0.78) ROCK2CYP3A4CYP2C19LMNAMAPK1
SCHEMBL306951 0.86 ROCK2 (0.84) ROCK2CYP3A4CYP2C19ACHEROCK1
SCHEMBL307152 0.86 ROCK2 (1.00) ROCK2CYP3A4CYP2C19LMNAMAPT
SCHEMBL307583 0.86 ROCK2 (0.80) ROCK2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL306374 0.85 ROCK2 (0.81) ROCK2CYP3A4CYP2C19MAPTROCK1

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 4/4885CYP3A4 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.