SCHEMBL1662974

SCHEMBL1662974

CNC(=O)c1cc(Nc2ncc3cnn(Cc4ccccc4F)c3n2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.43
JAK3 P52333 5/20 0.42
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
TYK2 P29597 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
STAT6 P42226 1/20 0.38
AURKA O14965 2/20 0.38
CDK2 P24941 2/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
WEE1 P30291 1/20 0.36
SYK P43405 2/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL12795473 0.82 AURKA (0.47) PTK2JAK3JAK2JAK1TYK2
SCHEMBL1662410 0.79 STAT6 (0.43) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12797520 0.79 JAK2 (0.57) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12797338 0.77 JAK3 (0.51) PTK2JAK3JAK2JAK1TYK2
SCHEMBL12969163 0.76 AURKA (0.59) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL27885718 0.76 JAK3 (0.49) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12797285 0.75 JAK1 (0.50) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12796025 0.75 JAK3 (0.51) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12796619 0.75 JAK3 (0.47) JAK3JAK2JAK1TYK2HDAC1
SCHEMBL12797486 0.75 JAK2 (0.47) JAK3JAK2JAK1TYK2HDAC1

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 9 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-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
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 PTK2 782/4885JAK3 2/4885JAK2 3/4885

“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.