SCHEMBL672897

SCHEMBL672897

CC(C)(C)OC(=O)N1CCN(c2cc(F)cc(Cn3ncc4cnc(Nc5cnn(CCO)c5)nc43)c2)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.42
JAK2 O60674 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
HDAC1 Q13547 2/20 0.37
BTK Q06187 2/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 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
SCHEMBL672638 0.93 JAK3 (0.39) JAK3JAK2JAK1TYK2CDK4
SCHEMBL672762 0.90 JAK3 (0.50) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL671846 0.84 JAK3 (0.42) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL673367 0.83 JAK3 (0.42) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL12802028 0.82 JAK3 (0.46) JAK3JAK2JAK1TYK2CDK4
SCHEMBL12802026 0.82 CCND3 (0.44) JAK3JAK2JAK1CDK4CCND1
SCHEMBL673304 0.81 NTRK1 (0.43) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL673455 0.81 JAK3 (0.39) JAK3JAK2JAK1TYK2CDK4
SCHEMBL12802025 0.79 JAK3 (0.42) JAK3JAK2JAK1TYK2CDK4
SCHEMBL672982 0.79 CCND3 (0.42) JAK3JAK2JAK1TYK2CDK4

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-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
CN-102666545-A Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors CELLZOME LTD 2012-09-12 CN disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 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-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.