SCHEMBL10276799

SCHEMBL10276799

CC(C)(CN)c1csc(-c2ccnc3[nH]ncc23)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.56
JAK2 O60674 2/20 0.47
ROCK2 O75116 2/20 0.47
PRKCD Q05655 2/20 0.47
ROCK1 Q13464 2/20 0.47
PRKCA P17252 1/20 0.47
NUDT1 P36639 2/20 0.39
BRD4 O60885 1/20 0.39
TLR9 Q9NR96 3/20 0.37
TLR8 Q9NR97 3/20 0.37
TLR7 Q9NYK1 2/20 0.37
CSNK1D P48730 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL13075228 0.88 PRKCQ (0.51) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL10310903 0.87 PRKCQ (0.58) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL292279 0.81 PRKCQ (0.68) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL10277118 0.80 PRKCQ (0.55) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL3798633 0.80 PRKCQ (0.59) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL10310900 0.78 PRKCQ (0.53) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL10310901 0.74 PRKCQ (0.41) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL2675503 0.71 PRKCQ (1.00) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL10276910 0.71 PRKCQ (0.46) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL9917723 0.71 PRKCQ (0.80) PRKCQJAK2ROCK2PRKCDROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
WO-2010129668-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-11 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-20120178778-A1 PYRAZOLOPYRIDINES MAP3K5, MAP4K5, MAP3K20 PRKCQ 41/4885JAK2 230/4885ROCK2 370/4885

“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.