SCHEMBL5405984

SCHEMBL5405984

c1cc2[nH]ncc2cc1NCC1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.53
ROCK1 Q13464 8/20 0.53
CDC7 O00311 2/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
CDK1 P06493 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
MAPK1 P28482 1/20 0.53
AKT1 P31749 1/20 0.53
CLK2 P49760 1/20 0.53
GSK3B P49841 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK1G2 P78368 1/20 0.53
CDK5 Q00535 1/20 0.53
DYRK1A Q13627 1/20 0.53
PRKG1 Q13976 1/20 0.53
PKN2 Q16513 1/20 0.53
AURKB Q96GD4 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53

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
SCHEMBL12628038 0.90 POLB (0.52) ROCK2ROCK1MAPK1POLBCCR2
SCHEMBL3536081 0.86 POLB (0.52) ROCK2ROCK1CDC7MAPK1GSK3B
SCHEMBL5404817 0.85 POLB (0.48) ROCK2ROCK1SLC6A2SLC6A4SLC6A3
SCHEMBL11934772 0.84 ULK1 (0.49) ROCK2ROCK1POLBCCR2TRPM5
SCHEMBL13438658 0.84 ULK1 (0.49) ROCK2ROCK1POLBCCR2TRPM5
SCHEMBL5859622 0.81 JAK2 (0.67) ROCK2ROCK1DYRK3CLK2DYRK1A
SCHEMBL5418817 0.81 ROCK2 (0.48) ROCK2ROCK1POLBCCR2TRPM5
SCHEMBL13121849 0.80 ROCK2 (0.60) ROCK2ROCK1CDC7MAPK1CCR2
SCHEMBL17845631 0.79 MAPK1 (0.48) ROCK2ROCK1CDC7DAPK3DYRK3
SCHEMBL5409390 0.77 ROCK2 (0.51) ROCK2ROCK1CCR2

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885CDC7 754/4885

“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.