SCHEMBL672459

SCHEMBL672459

Fc1ccc(N2CCOCC2)c(F)c1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 6/20 0.39
GAA P10253 3/20 0.38
CYP2A13 Q16696 1/20 0.38
HTT P42858 2/20 0.37
GSK3B P49841 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL670455 0.81 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL24196356 0.75 SMN1; SMN2 (0.49) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL671167 0.74 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL27885737 0.73 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL29173402 0.73 MAPT (0.50) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL28140414 0.72 HPGD (0.43) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL2317409 0.70 HSD17B10 (0.63) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL518971 0.69 LGMN (0.54) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL12993412 0.69 NPC1 (0.48) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL27885794 0.69 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10NPC1

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-2012143320-A1 (7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL)AMINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-10-26 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 ALDH1A1 2233/4885HPGD 1104/4885KDM4E 621/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2345/4885HPGD 1094/4885KDM4E 529/4885

“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.