SCHEMBL12802007

SCHEMBL12802007

Cn1cc(Nc2ncc3cnn(-c4ccc(S(C)(=O)=O)cc4)c3n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.53
CCNB2 O95067 4/20 0.52
CDK1 P06493 4/20 0.52
CCNB1 P14635 4/20 0.52
CDK5 Q00535 4/20 0.52
CDK5R1 Q15078 4/20 0.52
CCNB3 Q8WWL7 4/20 0.52
CDK2 P24941 4/20 0.52
CDK9 P50750 4/20 0.52
CCNT1 O60563 3/20 0.52
CCNE2 O96020 3/20 0.52
CCNE1 P24864 3/20 0.52
ALK Q9UM73 3/20 0.49
JAK2 O60674 9/20 0.49
HDAC6 Q9UBN7 2/20 0.49
JAK1 P23458 7/20 0.46
JAK3 P52333 5/20 0.46
TYK2 P29597 5/20 0.46
CDK19 Q9BWU1 2/20 0.44
AURKA O14965 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
SCHEMBL12801913 0.90 CDK9 (0.53) EIF2AK4CCNB2CDK1CCNB1CDK5
SCHEMBL12797028 0.89 EIF2AK4 (0.51) EIF2AK4CCNB2CDK1CCNB1CDK5
SCHEMBL1662621 0.88 EIF2AK4 (0.52) EIF2AK4CCNB2CDK1CCNB1CDK5
SCHEMBL12801972 0.85 EIF2AK4 (0.49) EIF2AK4CDK1CCNB1CDK2CDK9
SCHEMBL12797139 0.84 EIF2AK4 (0.48) EIF2AK4CDK2CDK9CCNE1ALK
SCHEMBL12796009 0.84 EIF2AK4 (0.56) EIF2AK4CDK2CDK9ALKJAK2
SCHEMBL12797314 0.84 EIF2AK4 (0.56) EIF2AK4CDK2CDK9ALKJAK2
SCHEMBL2585171 0.84 EIF2AK4 (0.55) EIF2AK4CDK2CDK9ALKJAK2
SCHEMBL12797147 0.82 JAK2 (0.52) EIF2AK4CDK1CDK2CDK9ALK
SCHEMBL1356098 0.82 EIF2AK4 (0.62) EIF2AK4JAK2JAK3FLT3RIPK2

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 1347/4885CCNB2 2037/4885CDK1 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.