SCHEMBL672982

SCHEMBL672982

CC(C)(C)OC(=O)N1CCN(c2cc(F)c(F)c(Cn3ncc4cnc(Nc5cnn(CCO)c5)nc43)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 2/20 0.42
CCNK O75909 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
JAK3 P52333 8/20 0.42
JAK2 O60674 7/20 0.41
JAK1 P23458 6/20 0.41
TYK2 P29597 5/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
ALK Q9UM73 5/20 0.41
EGFR P00533 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 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
SCHEMBL672447 0.84 JAK2 (0.43) CCNA2CDK2CDK6JAK3JAK2
SCHEMBL10203364 0.84 STAT6 (0.44) JAK3JAK2JAK1TYK2
SCHEMBL673455 0.82 JAK3 (0.39) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL12802026 0.80 CCND3 (0.44) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL671846 0.80 JAK3 (0.42) JAK3JAK2JAK1TYK2
SCHEMBL672897 0.79 JAK3 (0.42) CCND3JAK3JAK2JAK1TYK2
SCHEMBL673118 0.79 JAK3 (0.43) CCND3CCNKCCNA2CDK2CDK9
SCHEMBL670884 0.78 JAK3 (0.40) JAK3JAK2JAK1TYK2
SCHEMBL672111 0.78 JAK3 (0.42) JAK3JAK2JAK1TYK2
SCHEMBL12801985 0.77 CCND3 (0.41) CCND3CCNKCCNA2CDK2CDK9

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 4 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
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 (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 CCND3 351/4885CCNK 500/4885CCNA2 1016/4885

“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.