SCHEMBL671604

SCHEMBL671604

O=C1COCCN1c1cc(F)cc(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
MAP4K1 Q92918 3/20 0.40
NTRK1 P04629 1/20 0.40
F10 P00742 7/20 0.40
HTR1A P08908 2/20 0.37
PTGS2 P35354 2/20 0.36
PIK3CD O00329 1/20 0.36
PER2 O15055 1/20 0.36
CRY2 Q49AN0 1/20 0.36
CYP11B2 P19099 1/20 0.35

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
SCHEMBL1662827 0.86 NTRK1 (0.40) BACE1MAP4K1NTRK1F10HTR1A
SCHEMBL670900 0.79 MAP4K1 (0.50) BACE1MAP4K1NTRK1F10PTGS2
SCHEMBL21753351 0.78 F10 (0.53) F10PTGS2
SCHEMBL1662765 0.76 GPR183 (0.45) NTRK1
SCHEMBL672446 0.74 PER2 (0.36) BACE1MAP4K1NTRK1F10HTR1A
SCHEMBL2940366 0.74 MAP4K1 (0.50) MAP4K1NTRK1F10PTGS2PIK3CD
SCHEMBL18099235 0.73 F10 (0.43) MAP4K1NTRK1F10PTGS2PIK3CD
SCHEMBL18630668 0.72 F10 (0.54) F10HTR1APTGS2
SCHEMBL673330 0.71 NTRK1 (0.42) MAP4K1NTRK1F10PTGS2PIK3CD
SCHEMBL21822109 0.69 PTGS2 (0.41) MAP4K1F10PTGS2

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 BACE1 2780/4885MAP4K1 246/4885NTRK1 4772/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 BACE1 3082/4885MAP4K1 177/4885NTRK1 4682/4885

“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.