SCHEMBL307174

SCHEMBL307174

COc1ccc(C(=O)NCc2cccc(C(=O)NC3CCC(N(C)C)CC3)c2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.64
ROCK1 Q13464 4/20 0.63
CYP3A4 P08684 4/20 0.59
PKN2 Q16513 1/20 0.58
CYP2C9 P11712 1/20 0.58
TLR9 Q9NR96 1/20 0.56
TLR7 Q9NYK1 1/20 0.56
MAPK14 Q16539 1/20 0.54
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
LMNA P02545 1/20 0.51
PRKG1 Q13976 1/20 0.51
CYP2C19 P33261 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
SCHEMBL10159707 1.00 ROCK2 (0.64) ROCK2ROCK1CYP3A4PKN2CYP2C9
SCHEMBL10159902 0.86 ROCK2 (0.65) ROCK2ROCK1CYP3A4PKN2CYP2C9
SCHEMBL306730 0.86 ROCK2 (0.65) ROCK2ROCK1CYP3A4PKN2CYP2C9
SCHEMBL307311 0.85 ROCK2 (0.73) ROCK2ROCK1CYP3A4PKN2CYP2C9
SCHEMBL25719170 0.82 ROCK2 (0.66) ROCK2ROCK1CYP3A4PKN2CYP2C9
SCHEMBL305398 0.81 ROCK2 (0.78) ROCK2ROCK1CYP3A4CYP2C9USP2
SCHEMBL4437493 0.79 ROCK2 (0.70) ROCK2ROCK1CYP3A4PKN2CYP2C9
SCHEMBL3609921 0.79 ROCK2 (0.78) ROCK2ROCK1CYP3A4PKN2CYP2C9
SCHEMBL305141 0.79 ROCK2 (0.78) ROCK2ROCK1CYP3A4PKN2CYP2C9
SCHEMBL306761 0.79 ROCK2 (0.74) ROCK2ROCK1CYP3A4PKN2CYP2C9

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 8 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-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US 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 4/4885ROCK1 2/4885CYP3A4 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.