SCHEMBL307572

SCHEMBL307572

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3nc(CN4CCOCC4)cs3)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
ROCK2 O75116 8/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
PTBP1 P26599 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
ROCK1 Q13464 1/20 0.49
ADORA2A P29274 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PRKG1 Q13976 1/20 0.47
WDR5 P61964 1/20 0.47
SCD O00767 1/20 0.47

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
SCHEMBL307001 0.85 SCD (0.60) ROCK2CYP3A4CYP2C9CYP2D6ROCK1
SCHEMBL307371 0.82 ROCK2 (0.57) MAPK1ALDH1A1ROCK2CYP3A4CYP2C9
SCHEMBL308960 0.82 ROCK2 (0.67) MAPK1ALDH1A1ROCK2CYP3A4CYP2C9
SCHEMBL307462 0.81 ROCK2 (0.60) MAPK1ALDH1A1ROCK2CYP3A4CYP2C9
SCHEMBL307889 0.81 SCD (0.63) ROCK2CYP3A4CYP2C9CYP2D6ROCK1
SCHEMBL308696 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2ROCK2CYP3A4CYP2C9
SCHEMBL15888433 0.76 ROCK2 (0.51) ROCK2CYP3A4ROCK1PRKG1WDR5
SCHEMBL306482 0.76 ROCK2 (0.62) ALDH1A1MAPTROCK2CYP3A4CYP2C9
SCHEMBL306866 0.75 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL306865 0.75 ROCK2 (0.72) 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 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 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 MAPK1 211/4885ALDH1A1 3661/4885SMN1; SMN2 2901/4885

“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.