SCHEMBL4286792

SCHEMBL4286792

CCCOc1cccc([C@@H](C)Nc2nc3ccc(-c4ccncc4)cc3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.56
PRKACA P17612 4/20 0.56
PRKX P51817 4/20 0.56
CLK4 Q9HAZ1 4/20 0.56
ROCK2 O75116 4/20 0.56
RPS6KB1 P23443 3/20 0.56
IRAK1 P51617 3/20 0.56
PRKCD Q05655 3/20 0.56
PKN2 Q16513 3/20 0.56
HIPK4 Q8NE63 3/20 0.56
SGK2 Q9HBY8 3/20 0.56
GSK3A P49840 3/20 0.56
CDK2 P24941 2/20 0.56
AKT2 P31751 2/20 0.56
PRKG1 Q13976 2/20 0.56
GSK3B P49841 2/20 0.56
DYRK3 O43781 1/20 0.56
CDK5 Q00535 1/20 0.56
PRKG2 Q13237 1/20 0.56
MINK1 Q8N4C8 1/20 0.56

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
SCHEMBL4284244 0.92 ROCK1 (0.54) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4280764 0.87 ROCK1 (0.54) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4284779 0.81 MAP4K4 (0.67) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4286942 0.81 MAP4K4 (0.67) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4282384 0.81 ROCK1 (0.56) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4287157 0.81 ROCK1 (0.56) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4279054 0.80 MAP4K4 (0.57) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4282684 0.76 ROCK1 (0.77) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4283652 0.75 ROCK1 (0.64) ROCK1PRKACAPRKXCLK4ROCK2
SCHEMBL4280545 0.74 ROCK1 (0.77) ROCK1PRKACAPRKXCLK4ROCK2

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-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
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA ROCK1 1/4885PRKACA 134/4885PRKX 132/4885

“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.