SCHEMBL307984

SCHEMBL307984

COc1cccc(NC(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.75
CYP3A4 P08684 2/20 0.67
CYP2C19 P33261 1/20 0.65
NAMPT P43490 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
RXFP1 Q9HBX9 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
MMP13 P45452 1/20 0.53
NLRP3 Q96P20 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
SCHEMBL307464 0.93 ROCK2 (0.76) ROCK2CYP3A4CYP2C19NAMPTSMN1; SMN2
SCHEMBL306324 0.90 ROCK2 (0.78) ROCK2CYP3A4CYP2C19SMN1; SMN2NPC1
SCHEMBL307242 0.88 ROCK2 (0.82) ROCK2CYP3A4CYP2C19NAMPTSMN1; SMN2
SCHEMBL15888411 0.88 NAMPT (0.68) ROCK2NAMPTSMN1; SMN2RXFP1NPC1
SCHEMBL306728 0.87 ROCK2 (0.66) ROCK2CYP3A4CYP2C19NAMPTSMN1; SMN2
SCHEMBL10159840 0.86 ROCK2 (1.00) ROCK2CYP3A4CYP2C19NAMPT
SCHEMBL321410 0.86 ROCK2 (0.81) ROCK2CYP3A4CYP2C19NAMPT
SCHEMBL307583 0.85 ROCK2 (0.80) ROCK2CYP3A4CYP2C19NAMPTSMN1; SMN2
SCHEMBL307681 0.85 ROCK2 (0.76) ROCK2CYP3A4CYP2C19SMN1; SMN2NPC1
SCHEMBL306624 0.85 ROCK2 (0.79) ROCK2CYP3A4CYP2C19NAMPTNPC1

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.