SCHEMBL5404520

SCHEMBL5404520

c1cc2[nH]ncc2cc1O[C@H]1CC[C@H](NC2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.53
ROCK1 Q13464 8/20 0.53
CCR2 P41597 3/20 0.53
CHRM4 P08173 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.45
APAF1 O14727 1/20 0.45
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CDC7 O00311 3/20 0.43
DBF4 Q9UBU7 1/20 0.43
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5404525 1.00 ROCK2 (0.53) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5416987 0.89 ROCK2 (0.49) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5416996 0.89 ROCK2 (0.49) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5416992 0.89 ROCK2 (0.49) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5419161 0.87 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL26132172 0.87 ROCK2 (0.64) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5409613 0.86 ROCK2 (0.60) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5410417 0.86 ROCK2 (0.60) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5409997 0.85 ROCK2 (0.51) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5409993 0.85 ROCK2 (0.51) ROCK2ROCK1CCR2CHRM4KDM4E

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 1/4885CCR2 2824/4885

“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.