SCHEMBL1663300

SCHEMBL1663300

N#Cc1ccccc1Cn1ncc2cnc(Nc3cnn(CC(F)F)c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.47
JAK3 P52333 7/20 0.47
JAK1 P23458 5/20 0.47
MAP3K14 Q99558 1/20 0.43
TBK1 Q9UHD2 3/20 0.43
IKBKE Q14164 2/20 0.43
FLT4 P35916 1/20 0.43
HDAC6 Q9UBN7 4/20 0.41
TYK2 P29597 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.38
EIF2AK4 Q9P2K8 2/20 0.38
PTK2 Q05397 1/20 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
SCHEMBL12796046 0.89 JAK3 (0.49) JAK2JAK3JAK1MAP3K14TBK1
SCHEMBL12801944 0.88 JAK3 (0.59) JAK2JAK3JAK1TYK2EIF2AK4
SCHEMBL12796456 0.88 JAK3 (0.52) JAK2JAK3JAK1FLT4HDAC6
SCHEMBL12801984 0.87 JAK2 (0.47) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12802000 0.86 JAK2 (0.47) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL12801916 0.86 JAK2 (0.49) JAK2JAK3JAK1TBK1IKBKE
SCHEMBL12795242 0.86 FLT4 (0.46) JAK2JAK3JAK1FLT4HDAC6
SCHEMBL12969372 0.85 JAK2 (0.49) JAK2JAK3JAK1HDAC6TYK2
SCHEMBL1665614 0.84 MAP3K14 (0.44) JAK2JAK3JAK1MAP3K14
SCHEMBL12796073 0.84 JAK3 (0.45) JAK2JAK3JAK1FLT4HDAC6

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 10 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
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP 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 (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 JAK2 3/4885JAK3 2/4885JAK1 1/4885

“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.