SCHEMBL672446

SCHEMBL672446

O=C1COCCN1c1cc(F)cc(CO)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.36
CRY2 Q49AN0 1/20 0.36
HTR1A P08908 2/20 0.35
F10 P00742 9/20 0.34
MAP4K1 Q92918 1/20 0.34
GRM2 Q14416 1/20 0.33
BACE1 P56817 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PIK3CD O00329 1/20 0.32
ACVRL1 P37023 1/20 0.32
NTRK1 P04629 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
SCHEMBL672272 0.86 HTR1A (0.35) PER2CRY2HTR1AF10MAP4K1
SCHEMBL1663139 0.82 LRRK2 (0.38) F10MAP4K1LRRK2PIK3CD
SCHEMBL670523 0.78 MAP4K1 (0.36) PER2CRY2F10MAP4K1LRRK2
SCHEMBL671604 0.74 BACE1 (0.41) PER2CRY2HTR1AF10MAP4K1
SCHEMBL14676525 0.72 NTRK1 (0.34) F10MAP4K1LRRK2PIK3CDNTRK1
SCHEMBL671662 0.70 F10 (0.36) PER2CRY2HTR1AF10MAP4K1
SCHEMBL1662827 0.69 NTRK1 (0.40) PER2CRY2HTR1AF10MAP4K1
SCHEMBL3346992 0.68 LRRK2 (0.43) PER2HTR1AF10LRRK2
SCHEMBL21805487 0.66 PIK3CD (0.40) F10MAP4K1PIK3CDNTRK1
SCHEMBL77406 0.66 MAPT (0.43) F10LRRK2PIK3CD

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 9 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
WO-2013017479-A1 PYRAZOLO[4,3-C]PYRIDINE DERIVATIVES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-02-07 WO 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 PER2 2339/4885CRY2 3459/4885HTR1A 2371/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 PER2 2808/4885CRY2 3930/4885HTR1A 2210/4885

“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.