SCHEMBL308060

SCHEMBL308060

CN(C(=O)c1cccc(CNC(=O)c2ccc(OC(F)F)cc2)c1)c1ccc2c(c1)CNCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.53
PRKG1 Q13976 2/20 0.53
PKN2 Q16513 2/20 0.47
PRKCE Q02156 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2 P17301 2/20 0.40
ROCK1 Q13464 1/20 0.39
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ITGA2B P08514 1/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL307474 0.90 ROCK2 (0.61) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL308644 0.89 ROCK2 (0.53) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307410 0.88 ROCK2 (0.66) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307364 0.87 ROCK2 (0.56) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL306796 0.84 ROCK2 (0.76) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307064 0.83 ROCK2 (0.65) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307715 0.82 ROCK2 (0.66) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307158 0.82 ROCK2 (0.66) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL306432 0.82 ROCK2 (0.62) ROCK2PRKG1PKN2PRKCECYP3A4
SCHEMBL307514 0.82 ROCK2 (0.53) ROCK2PRKG1PKN2PRKCECYP3A4

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 10 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
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

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 4/4885PRKG1 9/4885PKN2 332/4885

“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.