SCHEMBL1662839

SCHEMBL1662839

OCc1cc(N2CCOCC2)cc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 3/20 0.40
SUV39H2 Q9H5I1 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LRRK2 Q5S007 2/20 0.39
RPS6KA3 P51812 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
LMNA P02545 1/20 0.38
ACVRL1 P37023 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
GPR183 P32249 1/20 0.37

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
SCHEMBL12931059 0.84 SUV39H2 (0.40) PIK3C2BSUV39H2KDM4EALDH1A1HPGD
SCHEMBL1662572 0.84 GSK3B (0.40) PIK3C2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27869440 0.81 GSK3B (0.41) PIK3C2BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23647758 0.81 LRRK2 (0.49) SUV39H2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21292936 0.81 ACVRL1 (0.47) SUV39H2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31618396 0.81 LRRK2 (0.49) SUV39H2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5063509 0.73 PRKDC (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1662765 0.72 GPR183 (0.45) KDM4EALDH1A1HSD17B10MEN1MAPT
SCHEMBL12931105 0.72 AKR1C3 (0.44) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL28991680 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN 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
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 PIK3C2B 1017/4885SUV39H2 1346/4885KDM4E 621/4885

“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.