SCHEMBL5407984

SCHEMBL5407984

O=C(NC1CC1)c1ccc2[nH]ncc2c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.72
ROCK2 O75116 5/20 0.68
ROCK1 Q13464 4/20 0.68
SMYD3 Q9H7B4 5/20 0.56
MAOB P27338 5/20 0.54
RPS6KB1 P23443 2/20 0.51
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CLK2 P49760 1/20 0.50
DYRK1A Q13627 1/20 0.50
PRKG1 Q13976 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
SGK2 Q9HBY8 1/20 0.50
STK17A Q9UEE5 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL5415165 0.95 MAPK14 (0.67) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5415168 0.95 MAPK14 (0.67) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5405456 0.94 MAPK14 (0.66) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5412477 0.94 MAPK14 (0.66) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5415020 0.94 MAPK14 (0.69) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5410247 0.94 MAPK14 (0.69) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5414865 0.93 MAPK14 (0.65) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5418306 0.93 MAPK14 (0.65) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5407541 0.93 MAPK14 (0.65) MAPK14ROCK2ROCK1SMYD3MAOB
SCHEMBL5415905 0.92 MAPK14 (0.64) MAPK14ROCK2ROCK1SMYD3MAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928252-B A kind of compound and the preparation method and application thereof inhibiting ROCK 成都先导药物开发股份有限公司 2019-09-27 CN disclosed
CN-106928252-A A kind of compound of suppression ROCK and preparation method and application 成都先导药物开发有限公司 2017-07-07 CN disclosed
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.