SCHEMBL1662598

SCHEMBL1662598

Cn1cc(Nc2ncc3cnn(Cc4cccc(OCC(N)=O)c4)c3n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.54
JAK2 O60674 10/20 0.48
HDAC6 Q9UBN7 2/20 0.48
WEE1 P30291 1/20 0.46
JAK1 P23458 8/20 0.45
ALK Q9UM73 2/20 0.44
CDK19 Q9BWU1 1/20 0.44
ROCK2 O75116 4/20 0.44
TYK2 P29597 2/20 0.43
TTK P33981 1/20 0.43
CDC7 O00311 2/20 0.43
DAPK3 O43293 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PAK4 O96013 2/20 0.43
PIM1 P11309 2/20 0.43
PRKACA P17612 2/20 0.43
CDK2 P24941 2/20 0.43
SYK P43405 2/20 0.43
CSNK1A1 P48729 2/20 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
SCHEMBL12797204 0.87 JAK3 (0.54) JAK3JAK2HDAC6JAK1ROCK2
SCHEMBL1662535 0.86 JAK3 (0.55) JAK3JAK2HDAC6JAK1ALK
SCHEMBL1665201 0.86 ALK (0.58) JAK3JAK2JAK1ALKCDK19
SCHEMBL12959682 0.86 JAK3 (0.53) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL12801950 0.85 JAK3 (0.58) JAK3JAK2HDAC6JAK1ALK
SCHEMBL12801999 0.84 JAK3 (0.49) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL12797183 0.84 JAK3 (0.57) JAK3JAK2HDAC6JAK1ALK
SCHEMBL12959688 0.83 JAK3 (0.45) JAK3JAK2JAK1ALKCDK19
SCHEMBL12797327 0.83 JAK3 (0.50) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL12801961 0.83 JAK3 (0.50) JAK3JAK2HDAC6JAK1ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US claimed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US claimed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885HDAC6 1292/4885

“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.