SCHEMBL12801980

SCHEMBL12801980

NS(=O)(=O)c1ccc(-n2ncc3cnc(Nc4cnn(CC(F)F)c4)nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 5/20 0.54
JAK3 P52333 3/20 0.43
CDK1 P06493 5/20 0.42
CDK2 P24941 5/20 0.42
CCNT1 O60563 4/20 0.42
CDK9 P50750 4/20 0.42
CCNB1 P14635 3/20 0.42
CDK5 Q00535 3/20 0.42
CCNE1 P24864 3/20 0.42
CDK5R1 Q15078 3/20 0.42
CCNB2 O95067 2/20 0.42
CCNE2 O96020 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
JAK2 O60674 4/20 0.41
HDAC6 Q9UBN7 3/20 0.41
FLT4 P35916 2/20 0.40
CDK7 P50613 2/20 0.40
CCNH P51946 1/20 0.40
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38

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
SCHEMBL12801973 0.86 EIF2AK4 (0.55) EIF2AK4JAK3CDK1CDK2CCNT1
SCHEMBL12801913 0.82 CDK9 (0.53) EIF2AK4JAK3CDK1CDK2CCNT1
SCHEMBL1662817 0.82 EIF2AK4 (0.45) EIF2AK4CDK1CDK2CCNT1CDK9
SCHEMBL15546682 0.75 JAK3 (0.51) JAK3JAK2NTRK1CSF1RTYK2
SCHEMBL12802007 0.73 EIF2AK4 (0.53) EIF2AK4JAK3CDK1CDK2CCNT1
SCHEMBL12801962 0.72 CDK2 (0.46) EIF2AK4JAK3CDK1CDK2CCNT1
SCHEMBL12797028 0.71 EIF2AK4 (0.51) EIF2AK4JAK3CDK1CDK2CCNT1
SCHEMBL1663056 0.71 JAK3 (0.49) EIF2AK4JAK3JAK2HDAC6FLT4
SCHEMBL12796498 0.71 JAK3 (0.45) EIF2AK4JAK3JAK2HDAC6FLT4
SCHEMBL1662594 0.71 CDK2 (0.54) EIF2AK4JAK3CDK1CDK2CCNT1

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 8 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

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 EIF2AK4 1347/4885JAK3 2/4885CDK1 30/4885

“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.