SCHEMBL672638

SCHEMBL672638

Cn1cc(Nc2ncc3cnn(Cc4cc(F)cc(N5CCN(C(=O)OC(C)(C)C)CC5=O)c4)c3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.39
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
EGFR P00533 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
MAPT P10636 1/20 0.35
STAT6 P42226 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
TYK2 P29597 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
SCHEMBL672897 0.93 JAK3 (0.42) JAK3CDK4CCND1CCND2CCND3
SCHEMBL12802028 0.90 JAK3 (0.46) JAK3CDK4CCND1CCND2CCND3
SCHEMBL12802026 0.89 CCND3 (0.44) JAK3CDK4CCND1CCND2CCND3
SCHEMBL673455 0.88 JAK3 (0.39) JAK3CDK4CCND1CCND2CCND3
SCHEMBL12802025 0.86 JAK3 (0.42) JAK3CDK4CCND1CCND2CCND3
SCHEMBL671506 0.85 CCNA2 (0.42) JAK3CDK4CCND1CCND2CCND3
SCHEMBL12801959 0.83 JAK3 (0.40) JAK3CDK4CCND1CCND2CCND3
SCHEMBL672762 0.82 JAK3 (0.50) JAK3JAK2JAK1TYK2
SCHEMBL1662981 0.81 STAT6 (0.43) JAK3JAK2JAK1STAT6TYK2
SCHEMBL1665276 0.80 NTRK1 (0.45) JAK3JAK2JAK1STAT6

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
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
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 2/4885CDK4 229/4885CCND1 496/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 JAK3 2/4885CDK4 281/4885CCND1 538/4885

“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.