SCHEMBL4283435

SCHEMBL4283435

c1ccc2c(CNc3nc4ccc(-c5ccncc5)cc4s3)cccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.69
ROCK2 O75116 3/20 0.69
MAP4K4 O95819 2/20 0.69
PRKCG P05129 2/20 0.69
PRKACA P17612 2/20 0.69
RPS6KB1 P23443 2/20 0.69
AKT1 P31749 2/20 0.69
CSNK1D P48730 2/20 0.69
CLK2 P49760 2/20 0.69
IRAK1 P51617 2/20 0.69
PRKX P51817 2/20 0.69
NEK4 P51957 2/20 0.69
PRKCD Q05655 2/20 0.69
DYRK1A Q13627 2/20 0.69
PKN2 Q16513 2/20 0.69
HIPK4 Q8NE63 2/20 0.69
AURKB Q96GD4 2/20 0.69
CLK4 Q9HAZ1 2/20 0.69
MKNK2 Q9HBH9 2/20 0.69
SGK2 Q9HBY8 2/20 0.69

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
SCHEMBL4281992 0.85 ROCK1 (0.71) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL4283672 0.83 MAP4K4 (0.65) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL4288731 0.83 MAP4K4 (0.65) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL4286949 0.83 CSNK1D (0.65) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL4305379 0.83 MAP4K4 (0.64) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL13457499 0.82 MAP4K4 (0.67) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL4285900 0.82 MAP4K4 (0.67) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL4286537 0.82 CLK4 (1.00) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL4280888 0.81 CSNK1D (0.64) ROCK1ROCK2MAP4K4PRKCGPRKACA
SCHEMBL4279146 0.80 CSNK1D (0.60) ROCK1ROCK2MAP4K4PRKCGPRKACA

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 1/4885ROCK2 2/4885MAP4K4 143/4885

“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.