SCHEMBL5404301

SCHEMBL5404301

O=C(NC1CCC(N2CCCC2)CC1)c1ccc2[nH]ncc2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.62
▸ ROCK1 Q13464 3/20 0.62
▸ MAPK14 Q16539 1/20 0.60
▸ SMYD3 Q9H7B4 2/20 0.47
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ MAOB P27338 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ HPGDS O60760 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
SCHEMBL5407420 0.99 ROCK2 (0.61) ROCK2ROCK1MAPK14SMYD3CCNC
SCHEMBL5407427 0.99 ROCK2 (0.61) ROCK2ROCK1MAPK14SMYD3CCNC
SCHEMBL5415131 0.98 ROCK2 (0.62) ROCK2ROCK1MAPK14SMYD3CCNC
SCHEMBL5417370 0.91 ROCK2 (0.65) ROCK2ROCK1MAPK14SMYD3CCNC
SCHEMBL5415065 0.91 ROCK2 (0.65) ROCK2ROCK1MAPK14SMYD3CCNC
SCHEMBL5412576 0.90 ROCK2 (0.64) ROCK2ROCK1MAPK14CCNCCDK8
SCHEMBL5419135 0.90 ROCK2 (0.64) ROCK2ROCK1MAPK14CCNCCDK8
SCHEMBL5413131 0.88 ROCK2 (0.56) ROCK2ROCK1MAPK14CCNCCDK8
SCHEMBL5407984 0.88 MAPK14 (0.72) ROCK2ROCK1MAPK14SMYD3MAOB
SCHEMBL5406977 0.87 ROCK2 (0.56) ROCK2ROCK1MAPK14CCNCCDK8

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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