SCHEMBL12801972

SCHEMBL12801972

CN(c1ccc(-n2ncc3cnc(Nc4cnn(C)c4)nc32)cc1)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.49
AURKA O14965 8/20 0.45
CDK1 P06493 7/20 0.45
CCNB1 P14635 7/20 0.45
ALK Q9UM73 2/20 0.44
JAK2 O60674 9/20 0.43
JAK1 P23458 8/20 0.43
JAK3 P52333 6/20 0.43
TYK2 P29597 5/20 0.43
CDK19 Q9BWU1 1/20 0.41
FLT3 P36888 2/20 0.41
PTK2 Q05397 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CDC7 O00311 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL12802007 0.85 EIF2AK4 (0.53) EIF2AK4AURKACDK1CCNB1ALK
SCHEMBL1662621 0.85 EIF2AK4 (0.52) EIF2AK4AURKACDK1CCNB1ALK
SCHEMBL1356818 0.83 EIF2AK4 (0.58) EIF2AK4AURKACDK1CCNB1FLT3
SCHEMBL12801913 0.82 CDK9 (0.53) EIF2AK4CDK1CCNB1ALKJAK2
SCHEMBL12797028 0.82 EIF2AK4 (0.51) EIF2AK4AURKACDK1CCNB1ALK
SCHEMBL12797314 0.81 EIF2AK4 (0.56) EIF2AK4AURKAALKJAK2JAK1
SCHEMBL12796009 0.81 EIF2AK4 (0.56) EIF2AK4ALKJAK2JAK1JAK3
SCHEMBL2585171 0.81 EIF2AK4 (0.55) EIF2AK4ALKJAK2JAK1JAK3
SCHEMBL12797147 0.78 JAK2 (0.52) EIF2AK4AURKACDK1ALKJAK2
SCHEMBL12797120 0.78 EIF2AK4 (0.51) EIF2AK4CDK1ALKJAK2JAK1

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 1347/4885AURKA 965/4885CDK1 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.