SCHEMBL4284779

SCHEMBL4284779

C[C@H](Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.67
PRKACA P17612 3/20 0.67
RPS6KB1 P23443 3/20 0.67
AKT1 P31749 3/20 0.67
PRKX P51817 3/20 0.67
PRKCD Q05655 3/20 0.67
ROCK1 Q13464 3/20 0.67
PKN2 Q16513 3/20 0.67
AURKB Q96GD4 3/20 0.67
CLK4 Q9HAZ1 3/20 0.67
SGK2 Q9HBY8 3/20 0.67
PRKCG P05129 2/20 0.67
CSNK1D P48730 2/20 0.67
CLK2 P49760 2/20 0.67
IRAK1 P51617 2/20 0.67
NEK4 P51957 2/20 0.67
DYRK1A Q13627 2/20 0.67
HIPK4 Q8NE63 2/20 0.67
MKNK2 Q9HBH9 2/20 0.67
CSNK1G1 Q9HCP0 2/20 0.67

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
SCHEMBL4286942 1.00 MAP4K4 (0.67) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4279054 0.89 MAP4K4 (0.57) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4287157 0.88 ROCK1 (0.56) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4282384 0.88 ROCK1 (0.56) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4280764 0.86 ROCK1 (0.54) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4280545 0.85 ROCK1 (0.77) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4284783 0.84 AKT1 (0.54) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4284244 0.83 ROCK1 (0.54) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4281966 0.83 MAP4K4 (0.53) MAP4K4PRKACARPS6KB1AKT1PRKX
SCHEMBL4287920 0.83 MAP4K4 (0.53) MAP4K4PRKACARPS6KB1AKT1PRKX

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 MAP4K4 143/4885PRKACA 134/4885RPS6KB1 125/4885

“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.