SCHEMBL1662847

SCHEMBL1662847

CC(C)(C)OC(=O)N1CCC(Cn2cc(Nc3ncc4cnn(Cc5cccc(N6CCOCC6)c5)c4n3)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.45
JAK2 O60674 2/20 0.43
PTK2 Q05397 1/20 0.43
USP30 Q70CQ3 1/20 0.41
CCND3 P30281 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
EGFR P00533 1/20 0.41
SYK P43405 1/20 0.41
TGFBR1 P36897 1/20 0.40
STAT6 P42226 2/20 0.40
LRRK2 Q5S007 1/20 0.39
BRD4 O60885 1/20 0.39
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
ALK Q9UM73 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
SCHEMBL1662580 0.96 JAK3 (0.44) JAK3JAK2PTK2USP30CCND3
SCHEMBL27885779 0.86 JAK3 (0.46) JAK3JAK2CCND3CDK4CCND1
SCHEMBL1662850 0.83 PLK4 (0.43) JAK3JAK2PTK2USP30CCND3
SCHEMBL12802035 0.82 JAK3 (0.45) JAK3JAK2PTK2EGFRSYK
SCHEMBL12801997 0.81 JAK3 (0.49) JAK3JAK2PTK2CCND3CDK4
SCHEMBL27885714 0.81 JAK3 (0.49) JAK3JAK2CCND3CDK4STAT6
SCHEMBL10205325 0.81 STAT6 (0.45) JAK3JAK2CDK4STAT6LRRK2
SCHEMBL672119 0.80 JAK3 (0.51) JAK3JAK2SYKSTAT6BRD4
SCHEMBL1662581 0.80 BTK (0.44) JAK3USP30BTK
SCHEMBL10205333 0.80 STAT6 (0.44) JAK3JAK2CCND3CDK4CCND1

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 6 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 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-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 (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 2/4885JAK2 3/4885PTK2 782/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885PTK2 686/4885

“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.