SCHEMBL5423920

SCHEMBL5423920

O=C(NC1CCCN(C2CCCCC2)C1)c1ccc2[nH]ncc2c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.56
▸ ROCK1 Q13464 3/20 0.56
▸ MAPK14 Q16539 1/20 0.51
▸ PARP1 P09874 1/20 0.50
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.45
▸ S1PR1 P21453 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL5415771 0.99 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5409738 0.97 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5413131 0.97 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5406977 0.96 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL8354199 0.93 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL8358764 0.93 ROCK2 (0.56) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5405569 0.90 ROCK2 (0.57) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5412576 0.89 ROCK2 (0.64) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5419135 0.89 ROCK2 (0.64) ROCK2ROCK1MAPK14PARP1CCNC
SCHEMBL5415065 0.87 ROCK2 (0.65) ROCK2ROCK1MAPK14PARP1CCNC

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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