SCHEMBL670084

SCHEMBL670084

CC(C)(C)OC(=O)N1CCN(c2cc(F)c(F)c(CO)c2)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE7A Q13946 1/20 0.39
ENPP2 Q13822 2/20 0.38
NR1H2 P55055 2/20 0.38
ESR2 Q92731 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
P2RX3 P56373 1/20 0.35
DTYMK P23919 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
CHRM2 P08172 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
SCHEMBL670694 0.86 GPR119 (0.37) DPP4PDE4BPDE7AENPP2NR1H2
SCHEMBL671635 0.83 LMNA (0.47) DPP4MAPTALDH1A1LMNAGPR119
SCHEMBL1583805 0.81 NR1H2 (0.44) PDE4BPDE7AENPP2NR1H2ESR2
SCHEMBL22650491 0.79 NR1H2 (0.46) DPP4ENPP2NR1H2ESR2MAPT
SCHEMBL1583728 0.79 ESR2 (0.44) ENPP2NR1H2ESR2MAPTALDH1A1
SCHEMBL21595254 0.77 GPR119 (0.48) PDE4BPDE7AENPP2NR1H2ESR2
SCHEMBL1663275 0.77 GALR2 (0.43) PDE4BENPP2NR1H2ESR2MAPT
SCHEMBL1583532 0.77 P2RX7 (0.51) ENPP2NR1H2MAPTALDH1A1LMNA
SCHEMBL25088458 0.76 ENPP2 (0.43) ENPP2NR1H2ESR2MAPTALDH1A1
SCHEMBL19404231 0.76 ADORA1 (0.40) PDE4BPDE7AENPP2NR1H2ESR2

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 DPP4 1316/4885PDE4B 1420/4885PDE7A 1662/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 DPP4 1461/4885PDE4B 1448/4885PDE7A 1391/4885

“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.