SCHEMBL670523

SCHEMBL670523

O=C1COCCN1c1cc(F)c(F)c(CO)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.36
F10 P00742 9/20 0.36
PIK3CD O00329 1/20 0.34
PER2 O15055 2/20 0.33
CRY2 Q49AN0 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ACVRL1 P37023 1/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL671662 0.86 F10 (0.36) MAP4K1F10PIK3CDPER2CRY2
SCHEMBL672446 0.78 PER2 (0.36) MAP4K1F10PIK3CDPER2CRY2
SCHEMBL671776 0.77 ALDH1A1 (0.42) ACVRL1
SCHEMBL1663139 0.74 LRRK2 (0.38) MAP4K1F10PIK3CDLRRK2
SCHEMBL671166 0.73 F10 (0.38) MAP4K1F10PIK3CD
SCHEMBL672272 0.70 HTR1A (0.35) MAP4K1F10PIK3CDPER2CRY2
SCHEMBL2998647 0.69 F10 (0.39) MAP4K1F10PIK3CDLRRK2
SCHEMBL77406 0.69 MAPT (0.43) F10PIK3CDLRRK2JAK2TYK2
SCHEMBL8165546 0.69 F10 (0.37) F10PIK3CDLRRK2
SCHEMBL671604 0.69 BACE1 (0.41) MAP4K1F10PIK3CDPER2CRY2

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 MAP4K1 246/4885F10 489/4885PIK3CD 385/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 MAP4K1 177/4885F10 546/4885PIK3CD 369/4885

“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.