SCHEMBL5405569

SCHEMBL5405569

O=C(NC1CCCCN(C2CCOCC2)C1)c1ccc2[nH]ncc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.57
▸ ROCK1 Q13464 5/20 0.57
▸ MAPK14 Q16539 1/20 0.48
▸ IGF1R P08069 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL5413131 0.93 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5406977 0.92 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5415771 0.91 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5423920 0.90 ROCK2 (0.56) ROCK2ROCK1MAPK14ALDH1A1PARP1
SCHEMBL5409738 0.89 ROCK2 (0.56) ROCK2ROCK1MAPK14KDM2BPARP1
SCHEMBL5417081 0.87 ROCK2 (0.62) ROCK2ROCK1MAPK14IGF1RNAMPT
SCHEMBL8358764 0.87 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL8354199 0.87 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5404301 0.84 ROCK2 (0.62) ROCK2ROCK1MAPK14NAMPTCCNC
SCHEMBL5407420 0.83 ROCK2 (0.61) ROCK2ROCK1MAPK14ALDH1A1NAMPT

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 1/4885MAPK14 156/4885

“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.

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