SCHEMBL2585171

SCHEMBL2585171

Cn1cc(Nc2ncc3cnn(-c4ccccc4)c3n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.55
ALK Q9UM73 6/20 0.55
CDK19 Q9BWU1 4/20 0.55
JAK2 O60674 8/20 0.51
JAK3 P52333 7/20 0.51
JAK1 P23458 7/20 0.51
TYK2 P29597 4/20 0.51
GSK3A P49840 3/20 0.47
GSK3B P49841 3/20 0.47
CDC7 O00311 2/20 0.46
DAPK3 O43293 2/20 0.46
ROCK2 O75116 2/20 0.46
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
PAK4 O96013 2/20 0.46
PIM1 P11309 2/20 0.46
PRKACA P17612 2/20 0.46
CDK2 P24941 2/20 0.46
SYK P43405 2/20 0.46
CSNK1A1 P48729 2/20 0.46

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
SCHEMBL12797314 0.88 EIF2AK4 (0.56) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL12796009 0.88 EIF2AK4 (0.56) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL12802007 0.84 EIF2AK4 (0.53) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL12801913 0.83 CDK9 (0.53) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL1662621 0.83 EIF2AK4 (0.52) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL12797147 0.83 JAK2 (0.52) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL12797120 0.82 EIF2AK4 (0.51) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL12797028 0.82 EIF2AK4 (0.51) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL1662594 0.82 CDK2 (0.54) EIF2AK4ALKCDK19JAK2JAK3
SCHEMBL1665189 0.81 EIF2AK4 (0.49) EIF2AK4ALKCDK19JAK2JAK3

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 13 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP 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
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 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 (2 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 1347/4885ALK 1762/4885CDK19 184/4885
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 EIF2AK4 1481/4885ALK 963/4885CDK19 147/4885

“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.