SCHEMBL1662634

SCHEMBL1662634

Cn1cc(Nc2ncc3cnn(Cc4ccccc4N4CCOCC4)c3n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 3/20 0.45
JAK3 P52333 9/20 0.42
JAK1 P23458 8/20 0.42
TYK2 P29597 5/20 0.42
JAK2 O60674 5/20 0.42
CDK19 Q9BWU1 4/20 0.41
ALK Q9UM73 4/20 0.41
BRD4 O60885 2/20 0.41
BRD9 Q9H8M2 2/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
JUN P05412 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 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
SCHEMBL10203357 0.92 JAK3 (0.42) STAT6JAK3JAK1TYK2JAK2
SCHEMBL675912 0.91 STAT6 (0.45) STAT6JAK3JAK1TYK2JAK2
SCHEMBL671582 0.91 JAK2 (0.41) STAT6JAK3JAK1TYK2JAK2
SCHEMBL672276 0.83 JAK3 (0.42) STAT6JAK3JAK1TYK2JAK2
SCHEMBL12797104 0.82 JAK3 (0.48) JAK3JAK1TYK2JAK2CDK19
SCHEMBL10205326 0.82 STAT6 (0.41) STAT6JAK3JAK1TYK2JAK2
SCHEMBL672453 0.82 STAT6 (0.51) STAT6JAK2CDK4CCND1CCND2
SCHEMBL1662524 0.82 STAT6 (0.51) STAT6JAK3JAK1JAK2BRD4
SCHEMBL12797285 0.81 JAK1 (0.50) STAT6JAK3JAK1TYK2JAK2
SCHEMBL12796992 0.81 JAK3 (0.47) JAK3JAK1TYK2JAK2CDK19

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 11 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
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 STAT6 36/4885JAK3 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.