SCHEMBL2520516

SCHEMBL2520516

C#C[C@@]1(CO)CC[C@H](n2cnc3c(N)nc(F)nc32)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.47
LMNA P02545 2/20 0.47
NT5E P21589 2/20 0.47
HIF1A Q16665 1/20 0.47
CHKA P35790 3/20 0.40
ADORA3 P0DMS8 4/20 0.39
CA5A P35218 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
PNP P00491 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DNMT1 P26358 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL22855175 1.00 AHCY (0.47) AHCYLMNANT5EHIF1ACHKA
SCHEMBL2520562 0.90 AHCY (0.47) AHCYLMNANT5EHIF1ACHKA
SCHEMBL25659855 0.90 AHCY (0.45) AHCYLMNANT5EHIF1ACHKA
SCHEMBL25867818 0.88 PNP (0.39) LMNAADORA3ADORA2AADORA2BADORA1
SCHEMBL2524440 0.88 PDE4D (0.53) LMNANT5EADORA3ADORA2AADORA1
SCHEMBL21709764 0.88 AHCY (0.34) AHCYLMNANT5EHIF1ACHKA
SCHEMBL12214180 0.85 AHCY (0.41) AHCYLMNANT5EHIF1ACHKA
SCHEMBL13581562 0.85 AHCY (0.42) AHCYLMNANT5EHIF1ACHKA
SCHEMBL29790376 0.84 AHCY (0.41) AHCYLMNANT5EHIF1ACHKA
SCHEMBL21709653 0.83 AHCY (0.40) AHCYLMNANT5EHIF1ACHKA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339053-B2 4′-C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2008-03-04 US claimed
EP-1589026-A1 4'-C-Substituted-2-Haloadenosine derivative YAMASA CORPORATION (JP) 2005-10-26 EP claimed
US-20050215512-A1 4' -C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2005-09-29 US claimed
US-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR PRIMEFOUR THERAPEUTICS, INC. 2023-09-21 US disclosed
EP-3413897-B1 METHODS FOR TREATMENT AND PROPHYLAXIS OF HIV AND AIDS MERCK SHARP & DOHME LLC (US) 2023-06-14 EP disclosed
US-20230174534-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2023-06-08 US disclosed
WO-2022256625-A1 LINE-1 INHIBITORS AS COGNITIVE ENHANCERS TRANSPOSON THERAPEUTICS, INC. (US) 2022-12-08 WO disclosed
US-20220010316-A1 ENGINEERED PURINE NUCLEOSIDE PHOSPHORYLASE VARIANT ENZYMES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2022-01-13 US disclosed
US-11162105-B2 Engineered purine nucleoside phosphorylase variant enzymes CODEXIS, INC. (US) 2021-11-02 US disclosed
WO-2021038509-A1 4'-ETHYNYL-2'-DEOXYADENOSINE DERIVATIVES AND THEIR USE IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-03-04 WO disclosed
WO-2021024114-A1 4'-ETHYNYL-2'-DEOXYADENOSINE DERIVATIVES AND THEIR USE IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-11 WO disclosed
US-20090234110-A1 4' -C-substituted-2-haloadenosine derivative KOHGO SATORU 2009-09-17 US disclosed
US-20080153774-A1 Acquired Immune Deficiency Syndrome (AIDS); 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; anti-HIV activity, particularly against a multi-drug-resistant HIV strain; less cytotoxicity, exhibit resistance to inactivation by adenosine deaminase KOHGO SATORU 2008-06-26 US disclosed
US-20080153774-A1 Acquired Immune Deficiency Syndrome (AIDS); 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; anti-HIV activity, particularly against a multi-drug-resistant HIV strain; less cytotoxicity, exhibit resistance to inactivation by adenosine deaminase KOHGO SATORU 2008-06-26 US disclosed
US-20080153774-A1 Acquired Immune Deficiency Syndrome (AIDS); 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; anti-HIV activity, particularly against a multi-drug-resistant HIV strain; less cytotoxicity, exhibit resistance to inactivation by adenosine deaminase KOHGO SATORU 2008-06-26 US disclosed
US-7339053-B2 4′-C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2008-03-04 US disclosed
US-7339053-B2 4′-C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2008-03-04 US disclosed
US-7339053-B2 4′-C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2008-03-04 US disclosed
EP-1589026-A1 4'-C-Substituted-2-Haloadenosine derivative YAMASA CORPORATION (JP) 2005-10-26 EP disclosed
US-20050215512-A1 4' -C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2005-09-29 US 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 (5 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-20230174534-A1 COMPOUNDS USEFUL IN HIV THERAPY CCR5, CD4, LSS AHCY 1161/4885LMNA 2608/4885NT5E 1408/4885
US-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR TYMP, TYMS, DCTD AHCY 248/4885LMNA 3687/4885NT5E 159/4885
US-20080153774-A1 Acquired Immune Deficiency Syndrome (AIDS); 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; anti-HIV activity, particularly against a multi-drug-resistant HIV strain; less cytotoxicity, exhibit resistance to inactivation by adenosine deaminase ADA, PNP, DCTD AHCY 69/4885LMNA 4513/4885NT5E 49/4885
US-20050215512-A1 4' -C-substituted-2-haloadenosine derivative ADORA1, ADORA2A, ADORA3 AHCY 259/4885LMNA 3258/4885NT5E 170/4885
US-20090234110-A1 4' -C-substituted-2-haloadenosine derivative ADORA1, ADORA2A, ADORA3 AHCY 59/4885LMNA 3655/4885NT5E 282/4885

“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.