SCHEMBL1662572

SCHEMBL1662572

Fc1cc(N2CCOCC2)cc(CBr)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 4/20 0.39
PIK3C2B O00750 3/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 2/20 0.36
RAD51 Q06609 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2A13 Q16696 1/20 0.35
LGMN Q99538 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
SCHEMBL27869440 0.88 GSK3B (0.41) GSK3BKDM4EPIK3C2BLMNAALDH1A1
SCHEMBL13928819 0.84 GSK3B (0.38) GSK3BKDM4EPIK3C2BLMNAALDH1A1
SCHEMBL12931060 0.84 RAD51 (0.39) GSK3BKDM4EPIK3C2BLMNAMAPT
SCHEMBL1662839 0.84 PIK3C2B (0.40) GSK3BKDM4EPIK3C2BLMNAALDH1A1
SCHEMBL670898 0.81 GSK3B (0.46) GSK3BKDM4ELMNAALDH1A1MEN1
SCHEMBL27869442 0.75 KDM4E (0.41) KDM4EPIK3C2BLMNAALDH1A1MEN1
SCHEMBL672007 0.72 GPR183 (0.43) GSK3BKDM4ELMNAALDH1A1MEN1
SCHEMBL13929085 0.72 MAPT (0.36) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL27869427 0.72 GSK3B (0.48) GSK3BKDM4ELMNAALDH1A1MEN1
SCHEMBL12931107 0.72 MAPT (0.40) KDM4ELMNAALDH1A1MAPTHPGD

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 4 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-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-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 (1 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 GSK3B 614/4885KDM4E 621/4885PIK3C2B 1017/4885

“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.