SCHEMBL670898

SCHEMBL670898

Fc1ccc(N2CCOCC2)cc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
LGMN Q99538 2/20 0.45
SIGMAR1 Q99720 3/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
CYP2A13 Q16696 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL27869427 0.88 GSK3B (0.48) GSK3BLGMNSIGMAR1ALDH1A1KDM4E
SCHEMBL31618396 0.84 LRRK2 (0.49) GSK3BLGMNSIGMAR1ALDH1A1KDM4E
SCHEMBL23647758 0.84 LRRK2 (0.49) GSK3BLGMNSIGMAR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28059785 0.83 LGMN (0.44) LGMNSIGMAR1ALDH1A1KDM4EALOX15
SCHEMBL1662572 0.81 GSK3B (0.40) GSK3BLGMNALDH1A1KDM4EALOX15
SCHEMBL23662641 0.80 LGMN (0.42) GSK3BLGMNSIGMAR1ALDH1A1KDM4E
SCHEMBL20424580 0.79 KMO (0.48) GSK3BALDH1A1KDM4EALOX15HPGD
SCHEMBL19280328 0.78 MEN1 (0.49) GSK3BLGMNALDH1A1KDM4EALOX15
SCHEMBL23647703 0.78 PIK3CA (0.46) GSK3BSIGMAR1ALDH1A1MAPTMEN1
SCHEMBL31618493 0.78 PKM (0.46) LGMNSIGMAR1ALDH1A1KDM4EHPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066428-B Boric acid derivatives 首药控股(北京)股份有限公司 2025-06-13 CN disclosed
CN-115066428-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-09-16 CN disclosed
WO-2021143924-A1 BORIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
WO-2021143924-A1 BORIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
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 GSK3B 614/4885LGMN 4870/4885SIGMAR1 2341/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 GSK3B 585/4885LGMN 4873/4885SIGMAR1 2197/4885

“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.