SCHEMBL10198161

SCHEMBL10198161

Nc1ccc(NC(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CCNC4)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.78
PKN2 Q16513 2/20 0.78
PRKG1 Q13976 2/20 0.78
PRKCE Q02156 1/20 0.78
CYP3A4 P08684 1/20 0.74
CYP2C19 P33261 1/20 0.74
ITGB3 P05106 2/20 0.54
ITGA2 P17301 2/20 0.54
F2 P00734 1/20 0.52
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
PLAT P00750 1/20 0.52
KLKB1 P03952 1/20 0.52
PRSS1 P07477 1/20 0.52
ITGA2B P08514 1/20 0.48
MELK Q14680 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
SCHEMBL321037 0.96 ROCK2 (0.84) ROCK2PKN2PRKG1PRKCECYP3A4
SCHEMBL14135086 0.94 ROCK2 (0.71) ROCK2PKN2PRKG1PRKCECYP3A4
SCHEMBL307784 0.89 ROCK2 (0.93) ROCK2PKN2PRKG1PRKCECYP3A4
SCHEMBL30589646 0.88 ROCK2 (1.00) ROCK2PKN2PRKG1PRKCECYP3A4
SCHEMBL10159651 0.88 ROCK2 (1.00) ROCK2PKN2PRKG1PRKCECYP3A4
SCHEMBL306920 0.85 ROCK2 (0.85) ROCK2PKN2PRKG1PRKCECYP3A4
SCHEMBL307412 0.85 ROCK2 (1.00) ROCK2PKN2PRKG1PRKCECYP3A4
SCHEMBL307523 0.83 ROCK2 (0.82) ROCK2PKN2PRKG1PRKCECYP3A4
SCHEMBL17076814 0.80 F2 (0.65) ROCK2PKN2PRKG1PRKCEITGB3
SCHEMBL10195845 0.79 ROCK2 (0.76) ROCK2PKN2PRKG1PRKCECYP3A4

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 3 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 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 332/4885PRKG1 9/4885

“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.