SCHEMBL1662625

SCHEMBL1662625

Cn1cc(Nc2ncc3cnn(Cc4ccccc4NS(C)(=O)=O)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.49
JAK3 P52333 10/20 0.46
JAK1 P23458 9/20 0.46
PTK2 Q05397 1/20 0.46
TYK2 P29597 6/20 0.45
JAK2 O60674 8/20 0.45
CDK19 Q9BWU1 4/20 0.43
CDC7 O00311 2/20 0.42
DAPK3 O43293 2/20 0.42
ROCK2 O75116 2/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
PAK4 O96013 2/20 0.42
PIM1 P11309 2/20 0.42
PRKACA P17612 2/20 0.42
CDK2 P24941 2/20 0.42
SYK P43405 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CLK2 P49760 2/20 0.42
GSK3A P49840 2/20 0.42

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
SCHEMBL12796438 0.90 ALK (0.45) ALKJAK3JAK1TYK2JAK2
SCHEMBL1664808 0.87 BRAF (0.43) ALKJAK3JAK1PTK2TYK2
SCHEMBL12795375 0.86 PTK2 (0.44) JAK3JAK1PTK2TYK2JAK2
SCHEMBL1662838 0.85 JAK3 (0.48) ALKJAK3JAK1PTK2TYK2
Hydrochloric Acid SCHEMBL12801983 0.85 PTK2 (0.43) JAK3JAK1PTK2TYK2JAK2
SCHEMBL12797104 0.84 JAK3 (0.48) ALKJAK3JAK1TYK2JAK2
SCHEMBL12796454 0.84 JAK3 (0.55) ALKJAK3JAK1TYK2JAK2
SCHEMBL12795222 0.83 CDK19 (0.54) ALKJAK3JAK1TYK2JAK2
SCHEMBL12796992 0.83 JAK3 (0.47) ALKJAK3JAK1TYK2JAK2
SCHEMBL12797285 0.83 JAK1 (0.50) ALKJAK3JAK1TYK2JAK2

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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 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 ALK 1762/4885JAK3 2/4885JAK1 1/4885

“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.