SCHEMBL5401716

SCHEMBL5401716

O=C(N[C@H]1CC[C@H](NC2CCOCC2)CC1)c1ccc2[nH]ncc2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.61
▸ ROCK2 O75116 7/20 0.58
▸ ROCK1 Q13464 5/20 0.58
▸ SMYD3 Q9H7B4 2/20 0.47
▸ HPGDS O60760 1/20 0.46
▸ MAOB P27338 4/20 0.46
▸ TGFBR1 P36897 1/20 0.45
▸ KDM1A O60341 2/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ CD38 P28907 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
SCHEMBL5401711 1.00 MAPK14 (0.61) MAPK14ROCK2ROCK1SMYD3HPGDS
SCHEMBL5412581 0.95 MAPK14 (0.62) MAPK14ROCK2ROCK1SMYD3HPGDS
SCHEMBL5415900 0.90 MAPK14 (0.64) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5415905 0.90 MAPK14 (0.64) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5412274 0.90 MAPK14 (0.64) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5412273 0.90 MAPK14 (0.64) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5407984 0.89 MAPK14 (0.72) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5417699 0.88 MAPK14 (0.63) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5417704 0.88 MAPK14 (0.63) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5421980 0.87 MAPK14 (0.55) MAPK14ROCK2ROCK1SMYD3HPGDS

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 MAPK14 156/4885ROCK2 2/4885ROCK1 1/4885

“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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