SCHEMBL3252039

SCHEMBL3252039

NC(C(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 18/20 0.68
▸ ROCK2 O75116 15/20 0.68
▸ PARP1 P09874 1/20 0.62
▸ PRKACA P17612 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL13357658 1.00 ROCK1 (0.68) ROCK1ROCK2PARP1PRKACAKDM4E
Bromide SCHEMBL27619464 0.99 ROCK1 (0.67) ROCK1ROCK2PARP1PRKACAKDM4E
SCHEMBL13357606 0.86 ROCK1 (0.70) ROCK1ROCK2PARP1PRKACAKDM4E
SCHEMBL3257615 0.85 ROCK1 (0.68) ROCK1ROCK2PARP1PRKACAKDM4E
SCHEMBL13357663 0.84 ROCK1 (0.59) ROCK1ROCK2
SCHEMBL13357625 0.83 ROCK1 (0.66) ROCK1ROCK2PARP1PRKACA
SCHEMBL2752587 0.83 ROCK1 (0.69) ROCK1ROCK2PARP1PRKACALMNA
SCHEMBL10253197 0.82 ROCK1 (0.71) ROCK1ROCK2PRKACALMNASMN1; SMN2
SCHEMBL2554763 0.81 ROCK1 (1.00) ROCK1ROCK2PARP1
SCHEMBL2559941 0.80 ROCK1 (1.00) ROCK1ROCK2PARP1

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 2/4885PARP1 2042/4885

“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.

Send feedback