SCHEMBL5405013

SCHEMBL5405013

O=C(NC1CCNCC1)c1ccccc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.60
ROCK1 Q13464 7/20 0.60
JAK2 O60674 4/20 0.52
JAK1 P23458 2/20 0.52
RPS6KB1 P23443 2/20 0.52
MAPK8 P45983 2/20 0.52
SYK P43405 2/20 0.52
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
MAPK13 O15264 1/20 0.52
PDPK1 O15530 1/20 0.52
DAPK3 O43293 1/20 0.52
DYRK3 O43781 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
CHEK2 O96017 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52

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
SCHEMBL5409200 0.90 RPS6KB1 (0.52) ROCK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL5409202 0.90 RPS6KB1 (0.52) ROCK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL5417973 0.83 ROCK2 (0.72) ROCK2ROCK1POLB
SCHEMBL5408095 0.80 ROCK2 (0.52) ROCK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL5407540 0.80 JAK2 (0.63) ROCK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL5425226 0.80 ROCK2 (0.74) ROCK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL5413116 0.80 JAK3 (0.62) ROCK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL5417270 0.79 MAPK14 (0.64) ROCK2ROCK1MAPK14
SCHEMBL5409723 0.78 JAK2 (0.58) ROCK2ROCK1JAK2JAK1RPS6KB1
SCHEMBL5416928 0.76 ROCK2 (0.51) ROCK2ROCK1JAK2JAK1RPS6KB1

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 1/4885JAK2 929/4885

“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.