SCHEMBL4282684

SCHEMBL4282684

COc1cccc(C(CCO)Nc2nc3ccc(-c4ccncc4)cc3s2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.77
PRKCG P05129 4/20 0.77
PRKACA P17612 4/20 0.77
RPS6KB1 P23443 4/20 0.77
IRAK1 P51617 4/20 0.77
NEK4 P51957 4/20 0.77
PRKCD Q05655 4/20 0.77
PKN2 Q16513 4/20 0.77
HIPK4 Q8NE63 4/20 0.77
CLK4 Q9HAZ1 4/20 0.77
SGK2 Q9HBY8 4/20 0.77
PRKG1 Q13976 4/20 0.77
MAP4K4 O95819 3/20 0.77
AKT1 P31749 3/20 0.77
DYRK1A Q13627 3/20 0.77
AURKB Q96GD4 3/20 0.77
CDK2 P24941 3/20 0.77
MAPK1 P28482 3/20 0.77
AKT2 P31751 3/20 0.77
GSK3A P49840 3/20 0.77

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
SCHEMBL4283652 0.92 ROCK1 (0.64) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL4291559 0.87 ROCK1 (1.00) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL4280764 0.85 ROCK1 (0.54) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL4292230 0.79 ROCK1 (0.84) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL4282293 0.79 ROCK1 (0.84) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL4286997 0.79 ROCK1 (0.84) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL4284244 0.77 ROCK1 (0.54) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL4280545 0.77 ROCK1 (0.77) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL4286792 0.76 ROCK1 (0.56) ROCK1PRKCGPRKACARPS6KB1IRAK1
SCHEMBL13457014 0.75 SCD (0.77) WNT3ACYP3A4ABL1MEN1MAPT

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 1/4885PRKCG 199/4885PRKACA 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.