SCHEMBL561748

SCHEMBL561748

Cn1ncc2c(Cl)cc(-c3ccc4[nH]ncc4c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.47
ROCK2 O75116 11/20 0.46
GSK3B P49841 11/20 0.46
PIM1 P11309 10/20 0.46
AURKB Q96GD4 9/20 0.46
KDR P35968 2/20 0.46
PAK4 O96013 2/20 0.46
JAK2 O60674 2/20 0.46
ROCK1 Q13464 3/20 0.44
PKN2 Q16513 2/20 0.44
CDC7 O00311 5/20 0.43
CDK5 Q00535 3/20 0.43
DYRK1A Q13627 3/20 0.43
CLK1 P49759 2/20 0.43
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK3 O43781 1/20 0.43
CLK3 P49761 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43

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
SCHEMBL560911 0.77 PIK3CA (0.59) ROCK2ROCK1NOS1MAPK1
SCHEMBL560770 0.74 PIK3CA (0.70) ROCK2GSK3BPIM1AURKBKDR
SCHEMBL561513 0.72 GRM2 (0.43) PRKAA1
SCHEMBL560718 0.71 ACVR2A (0.43) DYRK1A
SCHEMBL29467448 0.67 PDE2A (0.49) MAPK1
SCHEMBL561004 0.67 PDE2A (0.49) MAPK1
SCHEMBL561036 0.67 CHEK1 (0.46) AURKBKDRJAK2CDK5CLK4
SCHEMBL16014174 0.66 GSK3B (0.57) TRPA1ROCK2GSK3BPIM1AURKB
SCHEMBL16740690 0.66 NOS1 (0.72) TRPA1ROCK2GSK3BPIM1AURKB
SCHEMBL29133371 0.66 PDE2A (0.47) MAPK1

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-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
EP-2356117-B1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
EP-2356117-B1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
EP-2356117-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-08-17 EP disclosed
WO-2010059788-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-05-27 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-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA TRPA1 1769/4885ROCK2 903/4885GSK3B 109/4885

“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.