SCHEMBL5407540

SCHEMBL5407540

CNC(=O)c1ccccc1Nc1ccc2[nH]ncc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.63
JAK1 P23458 2/20 0.63
ROCK2 O75116 5/20 0.59
ROCK1 Q13464 4/20 0.59
IRAK4 Q9NWZ3 2/20 0.59
DAPK3 O43293 2/20 0.59
PRKD3 O94806 2/20 0.59
MAP4K4 O95819 2/20 0.59
PAK4 O96013 2/20 0.59
PIM1 P11309 2/20 0.59
PRKACA P17612 2/20 0.59
CDK2 P24941 2/20 0.59
FLT3 P36888 2/20 0.59
SYK P43405 2/20 0.59
CSNK1A1 P48729 2/20 0.59
CLK2 P49760 2/20 0.59
GSK3B P49841 2/20 0.59
CDK9 P50750 2/20 0.59
JAK3 P52333 2/20 0.59
CDK5 Q00535 2/20 0.59

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
SCHEMBL5413116 0.87 JAK3 (0.62) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5425226 0.87 ROCK2 (0.74) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5415187 0.85 ROCK2 (0.58) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5412485 0.84 JAK2 (0.59) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5409723 0.83 JAK2 (0.58) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5417004 0.82 RPS6KB1 (0.59) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5421964 0.82 JAK2 (0.56) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5409200 0.80 RPS6KB1 (0.52) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5409202 0.80 RPS6KB1 (0.52) JAK2JAK1ROCK2ROCK1IRAK4
SCHEMBL5405013 0.80 ROCK2 (0.60) JAK2JAK1ROCK2ROCK1IRAK4

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 JAK2 929/4885JAK1 230/4885ROCK2 2/4885

“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.