SCHEMBL285643

SCHEMBL285643

CC(C)(C#N)c1csc(-c2ccnc3c2cnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
ROCK2 O75116 3/20 0.37
PRKCQ Q04759 3/20 0.37
PRKCD Q05655 3/20 0.37
ROCK1 Q13464 3/20 0.37
PRKCA P17252 2/20 0.37
CYP17A1 P05093 2/20 0.36
CYP1A2 P05177 2/20 0.36
GSK3B P49841 2/20 0.36
PRKACA P17612 1/20 0.36
FLT3 P36888 1/20 0.36
JAK3 P52333 1/20 0.36
BCDIN3D Q7Z5W3 7/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL285196 0.81 NUDT1 (0.33) JAK2CYP17A1CYP1A2JAK3
SCHEMBL2675096 0.72 PRKCQ (0.60) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL292279 0.70 PRKCQ (0.68) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL292289 0.68 FEN1 (0.41) JAK2PRKCQCYP17A1CYP1A2JAK3
SCHEMBL5956817 0.67 NCF1 (0.39) CYP17A1CYP1A2
SCHEMBL285259 0.67 CYP17A1 (0.35) CYP17A1CYP1A2
SCHEMBL293663 0.66 AURKA (0.44) ROCK2ROCK1CYP17A1CYP1A2GSK3B
SCHEMBL285565 0.64 KDM4E (0.42)
SCHEMBL285644 0.63 PRKCQ (0.43) JAK2ROCK2PRKCQPRKCDROCK1
SCHEMBL30668855 0.62 KDM4E (0.54) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8727522-B2 Ultraviolet crosslinking ink and inkjet recording method RICOH COMPANY, LTD. (JP) 2014-05-20 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-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
US-20120176456-A1 ULTRAVIOLET CROSSLINKING INK AND INKJET RECORDING METHOD RICOH COMPANY, LTD., (JP) 2012-07-12 US disclosed
EP-2427464-A1 PYRAZOLOPYRIDINES Vertex Pharmaceuticals Incorporated (US) 2012-03-14 EP 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 JAK2 230/4885ROCK2 370/4885PRKCQ 41/4885

“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.