SCHEMBL3253712

SCHEMBL3253712

CC(C)(C)[Si](C)(C)OCCNC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 18/20 0.54
▸ ROCK2 O75116 16/20 0.54
▸ GPR142 Q7Z601 1/20 0.48
▸ PRKACA P17612 1/20 0.47

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
SCHEMBL13357628 0.83 ROCK1 (0.62) ROCK1ROCK2PRKACA
SCHEMBL3254745 0.83 ROCK1 (0.62) ROCK1ROCK2PRKACA
SCHEMBL22290936 0.76 GPR142 (0.45) ROCK1ROCK2GPR142PRKACA
SCHEMBL13357625 0.74 ROCK1 (0.66) ROCK1ROCK2PRKACA
SCHEMBL3255984 0.74 ROCK1 (0.58) ROCK1ROCK2PRKACA
SCHEMBL10253197 0.73 ROCK1 (0.71) ROCK1ROCK2PRKACA
SCHEMBL22290471 0.73 GPR142 (0.46) ROCK1ROCK2GPR142PRKACA
SCHEMBL13357606 0.73 ROCK1 (0.70) ROCK1ROCK2PRKACA
SCHEMBL28681782 0.72 MRE11 (0.42) ROCK1ROCK2GPR142PRKACA
SCHEMBL2752587 0.72 ROCK1 (0.69) ROCK1ROCK2PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558607-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-05-05 — — EP disclosed
EP-1558607-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-03 — — EP disclosed
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-06-24 — — US disclosed
WO-2004041813-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 — — WO 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-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases ROCK1, ROCK2, PRKCH ROCK1 1/4885ROCK2 2/4885GPR142 4249/4885

“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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