SCHEMBL1254574

SCHEMBL1254574

CN(C)C(=O)c1cc(-c2cn[nH]c2)ccc1NC(=O)C(N)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.68
AKT2 P31751 3/20 0.44
ROCK1 Q13464 1/20 0.43
MYLK4 Q86YV6 1/20 0.43
AKT1 P31749 5/20 0.43
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
BRAF P15056 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42

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
SCHEMBL1254506 0.86 ROCK2 (0.65) ROCK2ROCK1MYLK4AKT1
SCHEMBL1254510 0.86 ROCK2 (0.65) ROCK2ROCK1MYLK4AKT1
SCHEMBL16712958 0.78 ROCK2 (1.00) ROCK2AKT2ROCK1MYLK4
SCHEMBL4662575 0.77 ROCK2 (0.76) ROCK2AKT2ROCK1MYLK4
SCHEMBL12892373 0.74 ROCK2 (0.59) ROCK2AKT2ROCK1MYLK4
SCHEMBL13457481 0.74 ROCK2 (0.64) ROCK2
SCHEMBL3241665 0.73 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL1253344 0.72 ROCK2 (0.57) ROCK2ROCK1
SCHEMBL1254532 0.72 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL3723999 0.72 MAP4K1 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 US disclosed
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 US disclosed
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 US disclosed
EP-2234487-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-06 EP disclosed
WO-2009079009-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO disclosed
WO-2009079009-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, ROCK2 ROCK2 3/4885AKT2 28/4885ROCK1 1/4885

“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.