SCHEMBL671776

SCHEMBL671776

OCc1c(F)c(F)cc(N2CCOCC2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.41
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CASP1 P29466 1/20 0.37
MAPT P10636 4/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL670455 0.84 ALDH1A1 (0.39) ALDH1A1NPC1HPGDSMN1; SMN2TSHR
SCHEMBL27885737 0.83 ALDH1A1 (0.38) ALDH1A1NPC1HPGDSMN1; SMN2TSHR
SCHEMBL1663114 0.77 BRAF (0.31) ALDH1A1SMN1; SMN2HTT
SCHEMBL670523 0.77 MAP4K1 (0.36) ACVRL1
SCHEMBL19212240 0.74 SMN1; SMN2 (0.46) ALDH1A1NPC1HPGDSMN1; SMN2TSHR
SCHEMBL12931105 0.72 AKR1C3 (0.44) ALDH1A1NPC1HPGDSMN1; SMN2TSHR
SCHEMBL30168902 0.71 MAPT (0.45) ALDH1A1NPC1HPGDSMN1; SMN2TSHR
SCHEMBL3759033 0.71 CCR5 (0.42) ALDH1A1NPC1HPGDSMN1; SMN2TSHR
SCHEMBL21000994 0.71 MAPT (0.45) ALDH1A1NPC1HPGDSMN1; SMN2TSHR
SCHEMBL1662839 0.71 PIK3C2B (0.40) ALDH1A1HPGDALOX15LMNAKDM4E

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
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-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 ALDH1A1 2233/4885NPC1 3936/4885HPGD 1104/4885
US-20130190292-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2345/4885NPC1 3856/4885HPGD 1094/4885

“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.