SCHEMBL307404

SCHEMBL307404

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.64
ROCK1 Q13464 2/20 0.64
KDM4E B2RXH2 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.57
GAA P10253 3/20 0.57
USP2 O75604 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL308100 0.91 ROCK2 (0.66) ROCK2ROCK1CYP3A4
SCHEMBL306647 0.90 ROCK2 (0.65) ROCK2ROCK1CYP3A4
SCHEMBL307660 0.89 ROCK2 (0.62) ROCK2ROCK1CYP3A4
SCHEMBL307096 0.89 ROCK2 (0.78) ROCK2ROCK1RAB9ACYP2C19NPC1
SCHEMBL307655 0.88 ROCK2 (0.63) ROCK2ROCK1CYP3A4
SCHEMBL307011 0.84 ROCK2 (0.73) ROCK2ROCK1RAB9ACYP2C19NPC1
SCHEMBL307983 0.83 ROCK2 (0.74) ROCK2ROCK1RAB9ACYP2C19NPC1
SCHEMBL306436 0.82 ROCK2 (0.79) ROCK2ROCK1CYP3A4CYP2C9
SCHEMBL307265 0.81 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL307266 0.81 ROCK2 (0.58) ROCK2ROCK1

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 16 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
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 4/4885ROCK1 2/4885KDM4E 571/4885

“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.