SCHEMBL307753

SCHEMBL307753

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(Cc3ccc(F)cc3)CC4)c2)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.75
CYP3A4 P08684 2/20 0.75
PRKG1 Q13976 1/20 0.64
PRKAA2 P54646 1/20 0.57
TNF P01375 2/20 0.56
NOD2 Q9HC29 2/20 0.56
NOD1 Q9Y239 2/20 0.56
MEN1 O00255 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
ABCB1 P08183 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
ROCK1 Q13464 1/20 0.54
ACHE P22303 1/20 0.53
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL307344 0.94 ROCK2 (0.75) ROCK2CYP3A4PRKG1ABCB1ABCG2
SCHEMBL307225 0.94 ROCK2 (0.75) ROCK2CYP3A4PRKG1ABCB1ABCG2
SCHEMBL307304 0.94 ROCK2 (0.80) ROCK2CYP3A4PRKG1TNFNOD2
SCHEMBL306999 0.91 ROCK2 (0.71) ROCK2CYP3A4PRKG1ABCB1ABCG2
SCHEMBL307750 0.91 ROCK2 (0.75) ROCK2CYP3A4PRKG1ABCB1ABCG2
SCHEMBL307633 0.91 ROCK2 (0.75) ROCK2CYP3A4PRKG1ROCK1
SCHEMBL307835 0.89 ROCK2 (0.73) ROCK2CYP3A4PRKG1ABCB1ABCG2
SCHEMBL308010 0.89 ROCK2 (0.78) ROCK2CYP3A4PRKG1ABCB1ABCG2
SCHEMBL307178 0.89 ROCK2 (0.82) ROCK2CYP3A4PRKG1ABCB1ABCG2
SCHEMBL306148 0.89 ROCK2 (0.72) ROCK2CYP3A4PRKG1ABCB1ABCG2

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-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 4/4885CYP3A4 2048/4885PRKG1 9/4885

“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.