SCHEMBL4845625

SCHEMBL4845625

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(O)F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.76
ADORA3 P0DMS8 4/20 0.61
PI4KA P42356 2/20 0.61
PI4K2B Q8TCG2 2/20 0.61
PI4K2A Q9BTU6 2/20 0.61
PI4KB Q9UBF8 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
ADORA2B P29275 1/20 0.61
ADORA1 P30542 1/20 0.61
STAT6 P42226 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
DOT1L Q8TEK3 1/20 0.61
SLC29A1 Q99808 1/20 0.61

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
SCHEMBL546108 1.00 ADORA2A (0.76) ADORA2AADORA3PI4KAPI4K2BPI4K2A
Phosphoric Acid SCHEMBL23748616 0.95 ADORA2A (0.69) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL5549330 0.89 ADORA2A (0.73) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL5936728 0.89 ADORA2A (0.73) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL29601760 0.89 ADORA2A (0.73) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL29502687 0.89 ADORA2A (0.66) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL5416581 0.88 ADORA2A (0.76) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL5417952 0.88 ADORA2A (0.76) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL30367149 0.88 ADORA2A (0.79) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL26130576 0.88 ADORA2A (0.79) ADORA2AADORA3PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8506926-B2 Labeled purine nucleoside analog; imaging in vivo tumors, organs, tissues by positron emission tomography; administered intravenously, at more than one time point, by infusion over a period of five minutes or more; cancer, cardiac and neurological imaging studies UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-08-13 US disclosed
US-7381820-B2 α-1-phosphorylated-2-deoxy-2-fluoroarabinoside and process for producing 2′-deoxy-2′-fluoro-β-d-arabinonucleoside YAMASA CORPORATION (JP) 2008-06-03 US disclosed
US-20080056988-A1 [18F]-FURANOSYLPURINE DERIVATIVES AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-03-06 US disclosed
US-7273600-B2 [18F]-furanosylpurine derivatives and uses thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-09-25 US disclosed
US-20070135627-A1 Alpha-1-phosphorylated-2-deoxy-2-fluoroarabinoside and process for producing 2'-deoxy-2'-fluoro-beta-d-arabinonucleoside KOHEL YAMADA, ETAL 2007-06-14 US disclosed
EP-1676853-A1 ALPHA-1-PHOSPHORYLATED-2-DEOXY-2-FLUOROARABINOSIDE AND PROCESS FOR PRODUCING 2 -DEOXY-2 -FLUORO-BETA-D-ARABINONUCLEOSID E YAMASA CORPORATION (JP) 2006-07-05 EP disclosed
US-20040265232-A1 [18F]-furanosylpurine derivatives and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-30 US disclosed
WO-2004096138-A2 [18F]-FURANOSYLPURINE DERIVATIVES AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-11-11 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-20070135627-A1 Alpha-1-phosphorylated-2-deoxy-2-fluoroarabinoside and process for producing 2'-deoxy-2'-fluoro-beta-d-arabinonucleoside TYMP, PNP, DUT ADORA2A 314/4885ADORA3 363/4885PI4KA 272/4885

“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.