SCHEMBL1663139

SCHEMBL1663139

O=C1COCCN1c1cccc(CO)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
MAP4K1 Q92918 3/20 0.38
CMA1 P23946 3/20 0.37
F10 P00742 7/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
AKT1 P31749 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL672446 0.82 PER2 (0.36) LRRK2MAP4K1F10PIK3CD
SCHEMBL21805487 0.81 PIK3CD (0.40) MAP4K1F10PIK3CDPIK3CAPIK3CB
SCHEMBL21805800 0.80 PIK3CD (0.38) MAP4K1F10PIK3CDPIK3CAPIK3CB
SCHEMBL671134 0.78 LRRK2 (0.50) LRRK2PIK3CBPRKDCAKT1
SCHEMBL670523 0.74 MAP4K1 (0.36) LRRK2MAP4K1F10PIK3CD
SCHEMBL10203358 0.73 ADORA2A (0.38) MAP4K1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29842516 0.73 F10 (0.43) F10
SCHEMBL28809954 0.72 PKM (0.45) MAP4K1F10
SCHEMBL21921487 0.72 JAK2 (0.39) MAP4K1CMA1F10PIK3CDPIK3CA
SCHEMBL30087730 0.72 JAK2 (0.39) MAP4K1CMA1F10PIK3CDPIK3CA

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-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 LRRK2 2904/4885MAP4K1 246/4885CMA1 523/4885

“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.