SCHEMBL1663154

SCHEMBL1663154

COc1nn(CC(F)F)cc1Nc1ncc2cnn(Cc3ccccc3C#N)c2n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 10/20 0.40
NPBWR1 P48145 1/20 0.39
BUB1 O43683 2/20 0.36
USP1 O94782 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 2/20 0.34
LRRK2 Q5S007 2/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL12959677 0.94 NPBWR1 (0.38) MAP3K14NPBWR1BUB1USP1JAK2
SCHEMBL12797396 0.91 MAP3K14 (0.40) MAP3K14USP1JAK2JAK1JAK3
SCHEMBL1665614 0.89 MAP3K14 (0.44) MAP3K14NPBWR1JAK2JAK1JAK3
SCHEMBL12801990 0.89 NPBWR1 (0.39) NPBWR1BUB1USP1JAK2JAK1
SCHEMBL12801993 0.89 NPBWR1 (0.40) MAP3K14NPBWR1BUB1USP1JAK2
SCHEMBL12797299 0.88 JAK3 (0.35) MAP3K14JAK2JAK1JAK3LRRK2
SCHEMBL12795371 0.86 JAK3 (0.40) USP1JAK3LRRK2TTK
SCHEMBL12797294 0.85 JAK3 (0.39) JAK2JAK1JAK3
SCHEMBL12959676 0.84 LRRK2 (0.41) MAP3K14NPBWR1BUB1JAK2JAK1
SCHEMBL12797397 0.83 TTK (0.38) MAP3K14USP1JAK2JAK1JAK3

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 claimed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US claimed
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US 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-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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 MAP3K14 189/4885NPBWR1 2415/4885BUB1 1331/4885

“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.