SCHEMBL670694

SCHEMBL670694

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.37
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
ENPP2 Q13822 1/20 0.36
ESR2 Q92731 1/20 0.35
DPP4 P27487 1/20 0.35
NR1H2 P55055 1/20 0.35
SCN9A Q15858 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE7A Q13946 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
SCHEMBL670084 0.86 DPP4 (0.39) GPR119F13A1TGM2TGM1ENPP2
SCHEMBL1583805 0.77 NR1H2 (0.44) ENPP2ESR2NR1H2PDE4BPDE7A
SCHEMBL1583728 0.74 ESR2 (0.44) GPR119F13A1TGM2TGM1ENPP2
SCHEMBL22650491 0.74 NR1H2 (0.46) GPR119F13A1TGM2TGM1ENPP2
SCHEMBL8213856 0.74 P2RX3 (0.37) GPR119ESR2NR1H2SCN9APDE4B
SCHEMBL1663275 0.72 GALR2 (0.43) GPR119F13A1TGM2TGM1ENPP2
SCHEMBL1583532 0.72 P2RX7 (0.51) ENPP2NR1H2
SCHEMBL25088458 0.71 ENPP2 (0.43) GPR119F13A1TGM2TGM1ENPP2
SCHEMBL19404231 0.71 ADORA1 (0.40) GPR119ENPP2ESR2NR1H2PDE4B
SCHEMBL31347224 0.71 MAPT (0.50) GPR119F13A1TGM2TGM1ENPP2

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 GPR119 3906/4885F13A1 586/4885TGM2 3601/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 GPR119 3673/4885F13A1 708/4885TGM2 3657/4885

“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.