SCHEMBL673455

SCHEMBL673455

Cn1cc(Nc2ncc3cnn(Cc4cc(N5CCN(C(=O)OC(C)(C)C)CC5=O)cc(F)c4F)c3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.39
CCND3 P30281 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
EGFR P00533 1/20 0.36
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CDK6 Q00534 1/20 0.35
MAPT P10636 1/20 0.35
TYK2 P29597 2/20 0.34
AURKA O14965 1/20 0.34
FLT3 P36888 1/20 0.34
AURKB Q96GD4 1/20 0.34
BRAF P15056 1/20 0.34

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 0.88 JAK3 (0.39) JAK3CCND3CDK4CCND1CCND2
SCHEMBL12801959 0.86 JAK3 (0.40) JAK3CCND3CDK4CCND1CCND2
SCHEMBL12802028 0.85 JAK3 (0.46) JAK3CCND3CDK4CCND1CCND2
SCHEMBL672982 0.82 CCND3 (0.42) JAK3CCND3CDK4CCND1CCND2
SCHEMBL672897 0.81 JAK3 (0.42) JAK3CCND3CDK4CCND1CCND2
SCHEMBL672144 0.81 BRAF (0.38) JAK3CDK4CCND1JAK2JAK1
SCHEMBL671584 0.81 NTRK1 (0.41) JAK3JAK2JAK1TYK2BRAF
SCHEMBL671846 0.80 JAK3 (0.42) JAK3JAK2JAK1TYK2
SCHEMBL673118 0.79 JAK3 (0.43) JAK3CCND3CDK4CCND1CCND2
SCHEMBL672762 0.78 JAK3 (0.50) 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 8 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
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 (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 2/4885CCND3 299/4885CDK4 229/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885CCND3 351/4885CDK4 281/4885

“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.