SCHEMBL4465906

SCHEMBL4465906

COc1cccc(CC(=O)Nc2cc(-c3c[nH]c4ncccc34)cs2)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 0.72
CYP3A4 P08684 12/20 0.72
PRKACA P17612 8/20 0.66
ROCK2 O75116 1/20 0.63
CIT O14578 1/20 0.52
JAK2 O60674 1/20 0.52
FLT3 P36888 1/20 0.52
GSK3B P49841 1/20 0.52
JAK3 P52333 1/20 0.52
HTT P42858 1/20 0.51
FGFR1 P11362 1/20 0.51
FGFR4 P22455 1/20 0.51

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
SCHEMBL13887921 0.85 ROCK1 (0.71) ROCK1CYP3A4PRKACAROCK2CIT
SCHEMBL13887815 0.84 ROCK1 (0.74) ROCK1CYP3A4CITJAK2FLT3
SCHEMBL13887795 0.83 ROCK1 (1.00) ROCK1CYP3A4PRKACAROCK2CIT
SCHEMBL4484666 0.83 ROCK1 (1.00) ROCK1CYP3A4CITJAK2FLT3
SCHEMBL27678745 0.83 ROCK1 (0.61) ROCK1CYP3A4PRKACAROCK2
SCHEMBL4593757 0.82 ROCK1 (0.65) ROCK1CYP3A4PRKACAROCK2JAK3
SCHEMBL4474000 0.81 ROCK1 (0.60) ROCK1CYP3A4PRKACAROCK2FLT3
SCHEMBL4482897 0.81 ROCK1 (0.72) ROCK1CYP3A4PRKACACITJAK2
SCHEMBL13887874 0.81 ROCK1 (0.72) ROCK1CYP3A4CITJAK2FLT3
SCHEMBL8939602 0.79 ROCK1 (0.71) ROCK1CYP3A4PRKACAROCK2CIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
EP-1756108-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-28 EP disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 US disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 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-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 ROCK1 2/4885CYP3A4 4258/4885PRKACA 6/4885

“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.