SCHEMBL1253344

SCHEMBL1253344

COc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)C(N)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.57
ROCK1 Q13464 9/20 0.52
AAK1 Q2M2I8 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
SCHEMBL1252065 0.92 ROCK2 (0.54) ROCK2ROCK1AAK1
SCHEMBL1252062 0.92 ROCK2 (0.54) ROCK2ROCK1AAK1
SCHEMBL12915605 0.91 ROCK2 (0.51) ROCK2ROCK1AAK1
SCHEMBL1254532 0.89 ROCK2 (0.60) ROCK2ROCK1AAK1
SCHEMBL1254217 0.86 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL1253660 0.86 ROCK2 (0.54) ROCK2ROCK1AAK1
SCHEMBL1252497 0.85 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL12892373 0.83 ROCK2 (0.59) ROCK2ROCK1AAK1
SCHEMBL1254669 0.81 ROCK2 (0.50) ROCK2ROCK1
SCHEMBL1254739 0.81 ROCK2 (0.62) ROCK2ROCK1AAK1

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-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
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 3/4885ROCK1 1/4885AAK1 1977/4885

“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.