SCHEMBL4284244

SCHEMBL4284244

CCOc1cccc([C@@H](C)Nc2nc3ccc(-c4ccncc4)cc3s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.54
CSNK1D P48730 4/20 0.54
PRKACA P17612 3/20 0.54
RPS6KB1 P23443 3/20 0.54
IRAK1 P51617 3/20 0.54
PRKX P51817 3/20 0.54
PRKCD Q05655 3/20 0.54
PKN2 Q16513 3/20 0.54
HIPK4 Q8NE63 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
SGK2 Q9HBY8 3/20 0.54
MAP4K4 O95819 2/20 0.54
PRKCG P05129 2/20 0.54
AKT1 P31749 2/20 0.54
CLK2 P49760 2/20 0.54
NEK4 P51957 2/20 0.54
DYRK1A Q13627 2/20 0.54
AURKB Q96GD4 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
CSNK1G1 Q9HCP0 2/20 0.54

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
SCHEMBL4286792 0.92 ROCK1 (0.56) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4280764 0.89 ROCK1 (0.54) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4286942 0.83 MAP4K4 (0.67) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4284779 0.83 MAP4K4 (0.67) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4287157 0.83 ROCK1 (0.56) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4282384 0.83 ROCK1 (0.56) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4279054 0.81 MAP4K4 (0.57) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4282684 0.77 ROCK1 (0.77) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4287920 0.76 MAP4K4 (0.53) ROCK1CSNK1DPRKACARPS6KB1IRAK1
SCHEMBL4281966 0.76 MAP4K4 (0.53) ROCK1CSNK1DPRKACARPS6KB1IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US claimed
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US 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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA ROCK1 1/4885CSNK1D 289/4885PRKACA 134/4885

“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.