SCHEMBL306479

SCHEMBL306479

N#Cc1ccc(NC(=O)CCc2cccc(NC(=O)c3ccc4c(c3)CNCC4)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.66
PKN2 Q16513 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
PRKG1 Q13976 2/20 0.53
PRKCE Q02156 1/20 0.53
ITGB3 P05106 8/20 0.52
ITGA2 P17301 5/20 0.52
MELK Q14680 1/20 0.49
ITGA2B P08514 7/20 0.47
SLC2A1 P11166 1/20 0.46
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL306631 0.96 ROCK2 (0.61) ROCK2PKN2CYP3A4CYP2C19PRKG1
SCHEMBL10196151 0.89 ROCK2 (0.56) ROCK2PKN2CYP3A4CYP2C19PRKG1
SCHEMBL10195579 0.85 ROCK2 (0.52) ROCK2PKN2CYP3A4CYP2C19PRKG1
SCHEMBL15876378 0.85 ROCK2 (0.52) ROCK2PKN2CYP3A4CYP2C19PRKG1
SCHEMBL307523 0.82 ROCK2 (0.82) ROCK2PKN2CYP3A4CYP2C19PRKG1
SCHEMBL15876340 0.82 ROCK2 (0.48) ROCK2PKN2CYP3A4CYP2C19ITGB3
SCHEMBL307412 0.79 ROCK2 (1.00) ROCK2PKN2CYP3A4CYP2C19PRKG1
SCHEMBL307784 0.76 ROCK2 (0.93) ROCK2PKN2CYP3A4CYP2C19PRKG1
SCHEMBL306385 0.75 ROCK2 (0.70) ROCK2PKN2CYP3A4CYP2C19PRKG1
SCHEMBL15651667 0.73 MELK (0.61) ROCK2PKN2CYP3A4CYP2C19PRKG1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US claimed
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
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 4/4885PKN2 332/4885CYP3A4 2048/4885

“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.