SCHEMBL673467

SCHEMBL673467

Cn1cc(Nc2ncc3cnn(Cc4cccc(CN5CCOCC5)c4)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.49
CDK1 P06493 1/20 0.47
KDR P35968 1/20 0.47
TBK1 Q9UHD2 2/20 0.46
JAK2 O60674 5/20 0.46
STAT6 P42226 2/20 0.44
CDK2 P24941 2/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
PLK4 O00444 1/20 0.43
TYK2 P29597 3/20 0.42
NUAK1 O60285 1/20 0.42
STK16 O75716 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
CSNK2A2 P19784 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
ULK3 Q6PHR2 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
AURKA O14965 2/20 0.42

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
SCHEMBL1662524 0.89 STAT6 (0.51) JAK3JAK2STAT6CDK2NTRK1
SCHEMBL671980 0.85 JAK3 (0.50) JAK3CDK1JAK2CDK2CCNA2
SCHEMBL672521 0.85 JAK3 (0.47) JAK3TBK1JAK2STAT6TYK2
SCHEMBL12797095 0.84 JAK3 (0.53) JAK3JAK2TYK2JAK1
SCHEMBL671464 0.84 JAK3 (0.52) JAK3JAK2TYK2JAK1
SCHEMBL1662508 0.84 JAK3 (0.54) JAK3JAK2TYK2JAK1
SCHEMBL12797065 0.84 IGF1R (0.52) JAK3JAK2TYK2JAK1
SCHEMBL12797072 0.84 JAK3 (0.52) JAK3JAK2TYK2JAK1
SCHEMBL12796231 0.84 JAK3 (0.52) JAK3JAK2STAT6TYK2JAK1
SCHEMBL672881 0.83 ALK (0.55) JAK3JAK2CDK2TYK2JAK1

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 21 patents — showing the first 20. 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-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US claimed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP claimed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US claimed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO 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-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-9040545-B2 Heterocyclyl pyrazolopyrimidine analogues as selective JAK inhibitors CELLZOME LIMITED (GB) 2015-05-26 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2013-07-25 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 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-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 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 JAK3 2/4885CDK1 30/4885KDR 4287/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885CDK1 33/4885KDR 4261/4885

“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.