SCHEMBL1662594

SCHEMBL1662594

Cn1cc(Nc2ncc3cnn(-c4cccc(S(N)(=O)=O)c4)c3n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.54
CDK1 P06493 8/20 0.54
CDK5 Q00535 7/20 0.54
CDK9 P50750 7/20 0.54
CCNT1 O60563 6/20 0.54
CCNB1 P14635 6/20 0.54
CCNE1 P24864 6/20 0.54
CCNE2 O96020 5/20 0.54
CDK5R1 Q15078 5/20 0.54
CCNB2 O95067 4/20 0.54
CCNB3 Q8WWL7 4/20 0.54
JAK2 O60674 6/20 0.52
JAK3 P52333 6/20 0.52
ALK Q9UM73 6/20 0.52
TYK2 P29597 5/20 0.52
AURKA O14965 3/20 0.52
ROCK2 O75116 3/20 0.52
PRKD3 O94806 3/20 0.52
MAP4K4 O95819 3/20 0.52
SYK P43405 3/20 0.52

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
SCHEMBL12801913 0.88 CDK9 (0.53) CDK2CDK1CDK5CDK9CCNT1
SCHEMBL12801962 0.83 CDK2 (0.46) CDK2CDK1CDK5CDK9CCNT1
SCHEMBL2585171 0.82 EIF2AK4 (0.55) CDK2CDK9JAK2JAK3ALK
SCHEMBL12802007 0.81 EIF2AK4 (0.53) CDK2CDK1CDK5CDK9CCNT1
SCHEMBL12797028 0.79 EIF2AK4 (0.51) CDK2CDK1CDK5CDK9CCNT1
SCHEMBL1662621 0.78 EIF2AK4 (0.52) CDK2CDK1CDK5CDK9CCNT1
SCHEMBL342837 0.77 CDK1 (0.49) CDK2CDK1CDK5CDK9CCNT1
SCHEMBL12797150 0.76 PTK2 (0.54) JAK2JAK3ALKMAPK13MAPK8
SCHEMBL12796009 0.76 EIF2AK4 (0.56) CDK2CDK9JAK2JAK3ALK
SCHEMBL12797314 0.76 EIF2AK4 (0.56) CDK2CDK9JAK2JAK3ALK

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-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
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

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 CDK2 198/4885CDK1 30/4885CDK5 104/4885

“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.