SCHEMBL307583

SCHEMBL307583

COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2C19 P33261 1/20 0.77
BCHE P06276 1/20 0.58
MMP13 P45452 2/20 0.56
LSS P48449 1/20 0.54
NAMPT P43490 1/20 0.54
CXCR3 P49682 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 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
SCHEMBL306324 0.93 ROCK2 (0.78) ROCK2CYP3A4CYP2C19MMP13NPC1
SCHEMBL307464 0.92 ROCK2 (0.76) ROCK2CYP3A4CYP2C19LSSNAMPT
SCHEMBL307681 0.92 ROCK2 (0.76) ROCK2CYP3A4CYP2C19MMP13NPC1
SCHEMBL306949 0.89 ROCK2 (1.00) ROCK2CYP3A4CYP2C19NAMPT
SCHEMBL308209 0.88 ROCK2 (0.77) ROCK2CYP3A4CYP2C19LSSNAMPT
SCHEMBL307307 0.87 ROCK2 (0.86) ROCK2CYP3A4CYP2C19LSSNPC1
SCHEMBL306629 0.87 ROCK2 (0.73) ROCK2CYP3A4CYP2C19MMP13
SCHEMBL307149 0.87 ROCK2 (1.00) ROCK2CYP3A4CYP2C19NAMPT
SCHEMBL307627 0.86 ROCK2 (0.86) ROCK2CYP3A4CYP2C19
SCHEMBL306951 0.86 ROCK2 (0.84) ROCK2CYP3A4CYP2C19NAMPT

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-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
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 2048/4885CYP2C19 1265/4885

“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.