SCHEMBL4520798

SCHEMBL4520798

NC(=O)C(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.68
ADORA2B P29275 3/20 0.68
HSP90B1 P14625 2/20 0.68
ADORA2A P29274 2/20 0.68
HIF1A Q16665 1/20 0.65
TMEM97 Q5BJF2 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
ADORA3 P0DMS8 3/20 0.63
TSHR P16473 1/20 0.63
LMNA P02545 1/20 0.63
THRB P10828 1/20 0.63
BLM P54132 1/20 0.63
KMT2A Q03164 1/20 0.63
HSP90AA1 P07900 1/20 0.63
ADORA1 P30542 1/20 0.63
PRMT5 O14744 1/20 0.61
WDR77 Q9BQA1 1/20 0.61
DPP4 P27487 1/20 0.60

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
SCHEMBL30139993 1.00 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL4520806 1.00 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL30139992 1.00 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL2117335 0.91 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL1757011 0.91 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL29385449 0.91 AHCY (0.68) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL6902907 0.90 AHCY (0.67) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL6902895 0.90 AHCY (0.67) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL6902911 0.90 AHCY (0.67) AHCYADORA2BHSP90B1ADORA2AHIF1A
SCHEMBL6902902 0.89 NT5E (0.63) AHCYADORA2BHSP90B1ADORA2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224438-A CARDIOTONIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-09-23 US claimed
JP-63201196-A None JP disclosed
US-12378248-B2 A1 adenosine receptor agonists and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-08-05 US disclosed
US-20230102924-A1 Methods of Treating Cancer Using Checkpoint Inhibitors in Combination with Purine Cleaving Enzymes UNIV EMORY (US) 2023-03-30 US disclosed
US-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-27 US disclosed
WO-2020118139-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-11 WO disclosed
WO-2009092516-A2 METHODS, COMPOSITIONS, UNIT DOSAGE FORMS, AND KITS FOR PHARMACOLOGIC STRESS TESTING WITH REDUCED SIDE EFFECTS ADENOBIO N.V. (NL) 2009-07-30 WO disclosed
US-20090185973-A1 METHODS, COMPOSITIONS, UNIT DOSAGE FORMS, AND KITS FOR PHARMACOLOGIC STRESS TESTING WITH REDUCED SIDE EFFECTS ADENOBIO N.V. (NL) 2009-07-23 US disclosed
US-7488598-B2 Mutant purine nucleoside phosphorylase proteins and cellular delivery thereof CORNELL CENTER FOR TECHNOLOGY ENTERPRISE AND COMMERCIALIZATION (US) 2009-02-10 US disclosed
US-7037718-B2 Mutant purine nucleoside phosphorylase proteins and cellular delivery thereof CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-02 US disclosed
EP-0179630-A2 N6-acenaphthyl adenosines and analogs thereof WARNER-LAMBERT COMPANY (US) 1986-04-30 EP disclosed
EP-0179667-A2 N6-substituted adenosines WARNER-LAMBERT COMPANY (US) 1986-04-30 EP disclosed
WO-1986000310-A1 N-6 AND 5'-N SUBSTITUTED CARBOXAMIDOADENOSINE DERIVATIVES AS CARDIAC VASODILATORS AND ANTIHYPERTENSIVE AGENTS, AND PROCESS FOR MAKING SAID COMPOUNDS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1986-01-16 WO disclosed
EP-0139358-A2 N6-substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1985-05-02 EP disclosed
US-4224438-A CARDIOTONIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-09-23 US disclosed
US-4167565-A Adenosine-5'-carboxamides and method of use ABBOTT LABORATORIES (US) 1979-09-11 US disclosed
US-4104462-A Cardioactive adenosine nitrates HOFFMANN-LA ROCHE INC. (US) 1978-08-01 US disclosed
US-4029884-A Adenosine-5'-carboxylic acid amides ABBOTT LABORATORIES (US) 1977-06-14 US disclosed
US-3966917-A ADENOSINE-5'-CARBOXAMIDES ABBOTT LABORATORIES (US) 1976-06-29 US disclosed
US-3966917-A ADENOSINE-5'-CARBOXAMIDES ABBOTT LABORATORIES (US) 1976-06-29 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 (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-12378248-B2 A1 adenosine receptor agonists and methods of use thereof ADORA1, ADORA2A, ADORA2B AHCY 525/4885ADORA2B 3/4885HSP90B1 1538/4885
US-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF ADORA1, ADORA2A, ADORA2B AHCY 525/4885ADORA2B 3/4885HSP90B1 1538/4885

“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.