SCHEMBL672762

SCHEMBL672762

CC(C)(C)OC(=O)N1CCN(c2cccc(Cn3ncc4cnc(Nc5cnn(CCO)c5)nc43)c2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.50
JAK2 O60674 6/20 0.41
HDAC6 Q9UBN7 6/20 0.41
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
HDAC1 Q13547 2/20 0.39
BTK Q06187 1/20 0.39
MET P08581 2/20 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
SCHEMBL12802028 0.93 JAK3 (0.46) JAK3JAK2JAK1TYK2
SCHEMBL672897 0.90 JAK3 (0.42) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL671846 0.86 JAK3 (0.42) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL672638 0.82 JAK3 (0.39) JAK3JAK2JAK1TYK2
SCHEMBL12801997 0.82 JAK3 (0.49) JAK3JAK2JAK1TYK2
SCHEMBL672653 0.81 JAK3 (0.50) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL671487 0.81 JAK3 (0.50) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL12801959 0.78 JAK3 (0.40) JAK3JAK2JAK1TYK2
SCHEMBL673455 0.78 JAK3 (0.39) JAK3JAK2JAK1TYK2
SCHEMBL672982 0.77 CCND3 (0.42) JAK3JAK2JAK1TYK2

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 7 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
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
CN-102666545-A Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors CELLZOME LTD 2012-09-12 CN disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 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 3/4885HDAC6 1292/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885HDAC6 1246/4885

“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.