SCHEMBL308231

SCHEMBL308231

COc1ccc(C(=O)NCc2cccc(C(=O)NCC3CCNCC3)c2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.82
PKN2 Q16513 1/20 0.68
ROCK1 Q13464 5/20 0.65
PRKG1 Q13976 1/20 0.59
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 1/20 0.57
BRD4 O60885 1/20 0.55
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM1A O60341 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL306945 0.90 ROCK2 (1.00) ROCK2PKN2ROCK1PRKG1CYP3A4
SCHEMBL10159655 0.88 ROCK2 (0.67) ROCK2PKN2ROCK1PRKG1CYP3A4
SCHEMBL306729 0.88 ROCK2 (0.67) ROCK2PKN2ROCK1PRKG1CYP3A4
SCHEMBL4437493 0.84 ROCK2 (0.70) ROCK2PKN2ROCK1PRKG1CYP3A4
SCHEMBL306946 0.83 ROCK2 (0.68) ROCK2PKN2ROCK1PRKG1CYP3A4
SCHEMBL307182 0.81 ROCK2 (1.00) ROCK2PKN2ROCK1PRKG1CYP3A4
SCHEMBL13846080 0.80 HTR4 (0.67) ROCK2ROCK1BRD4
SCHEMBL3609921 0.80 ROCK2 (0.78) ROCK2PKN2ROCK1PRKG1CYP3A4
SCHEMBL305398 0.80 ROCK2 (0.78) ROCK2ROCK1CYP3A4CYP2C9USP2
SCHEMBL305141 0.80 ROCK2 (0.78) ROCK2PKN2ROCK1PRKG1CYP3A4

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 15 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
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO 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 4/4885PKN2 332/4885ROCK1 2/4885

“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.