SCHEMBL1662765

SCHEMBL1662765

OCc1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.45
PIK3CA P42336 5/20 0.41
AGXT P21549 1/20 0.41
AKT1 P31749 3/20 0.40
MTOR P42345 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ACLY P53396 1/20 0.40
AKR1C3 P42330 1/20 0.40
PIK3CB P42338 1/20 0.39
PLAU P00749 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23662602 0.87 GPR183 (0.43) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL29866545 0.87 GPR183 (0.43) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL12831239 0.83 KDM4E (0.44) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL672007 0.83 GPR183 (0.43) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL23662642 0.83 GPR183 (0.43) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL3508314 0.82 KDM4E (0.50) GPR183PIK3CAKDM4EACLYAKR1C3
SCHEMBL6688959 0.81 GPR183 (0.46) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL6629681 0.81 GPR183 (0.44) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL27885766 0.81 GPR183 (0.44) GPR183PIK3CAAGXTAKT1MTOR
SCHEMBL12865160 0.80 LMNA (0.53) PIK3CAAGXTAKT1MTORKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
CN-102666545-A Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors CELLZOME LTD 2012-09-12 CN 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 GPR183 3479/4885PIK3CA 206/4885AGXT 2267/4885

“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.