3-Methylxanthine

3-Methylxanthine

SCHEMBL237146

Cn1c(=O)[nH]c(=O)c2[nH]cnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.64
PDE4A P27815 8/20 0.64
PDE4B Q07343 8/20 0.64
PDE4C Q08493 8/20 0.64
PDE4D Q08499 8/20 0.64
ADORA2B P29275 6/20 0.64
ADORA3 P0DMS8 3/20 0.64
ADORA1 P30542 2/20 0.64
HPGD P15428 1/20 0.64
BLM P54132 1/20 0.64
PDE3A Q14432 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ATAD2 Q6PL18 1/20 0.56
PIK3CD O00329 1/20 0.54
ALPL P05186 1/20 0.54
TMIGD3 P0DMS9 1/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
PNP P00491 1/20 0.53
CYP3A4 P08684 1/20 0.50

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
3-Methylxanthine SCHEMBL9317914 0.98 ADORA2A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL30753411 0.98 ADORA2A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL4020124 0.98 ADORA2A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL2791774 0.89 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL1892894 0.88 ADORA2B (0.77) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL4018085 0.88 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
Theobromine SCHEMBL4024314 0.87 MAPK1 (0.75) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL17164064 0.85 ATAD2 (0.51) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL864455 0.81 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
Caffeine SCHEMBL17748263 0.81 ADORA2A (0.61) ADORA2APDE4APDE4BPDE4CPDE4D

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 1700 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122013188-A One-step etching solution for Cu alloy oxide and preparation method thereof 南京和显达微电子科技有限公司 2026-05-12 CN claimed
EP-4363043-B1 COMPOSITIONS FOR USE IN METHODS FOR INCREASING CANCER CELL SENSITIVITY TO ALTERNATING ELECTRIC FIELDS NOVOCURE GMBH (CH) 2026-04-22 EP claimed
EP-4680228-A2 OPHTHALMIC CREAM FORMULATIONS AND THEIR USES Glaukos Corporation (US) 2026-01-21 EP claimed
CN-120084902-A Biomarker for predicting colchicine preventive response of gout patient and application thereof 查理高特(青岛)健康科技有限公司 2025-06-03 CN claimed
US-20250171518-A1 METHODS FOR PREPARING CELLS FOR ADOPTIVE T CELL THERAPY CITY OF HOPE 2025-05-29 US claimed
EP-4560315-A2 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP claimed
CN-119936223-A Metabolic marker for diagnosing or monitoring gastric cancer, screening method and application thereof 武汉迈特维尔医学科技有限公司 2025-05-06 CN claimed
WO-2025068213-A1 USE OF A MARKER SET FOR DETERMINING THE RISK OF HAVING OR DEVELOPING BLADDER CANCER NUMARES AG (DE) 2025-04-03 WO claimed
EP-3980554-B1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES HOFFMANN LA ROCHE (CH) 2025-03-26 EP claimed
CN-119039294-B Preparation method of 3, 7-dimethyl xanthine 石药创新制药股份有限公司 2025-03-11 CN claimed
EP-0315401-A2 Xanthine derivatives and their preparation and pharmaceutical formulation CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1989-05-10 EP claimed
EP-0098179-B1 HYBRIDOMA CELL LINES AND MONOCLONAL ANTIBODIES TO THEOPHYLLINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-15 EP claimed
CN-1031184-A Pharmaceutical composition and preparation thereof and application HOECHST AG (DE) 1989-02-22 CN claimed
CN-87107785-A OXADIAZOLE-ALKYL-PURINE DERIVATIVES 1988-07-20 CN claimed
EP-0264081-A2 Oxadiazolyl alkyl purin derivatives, their preparation and their use in pharmaceutical compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-04-20 EP claimed
EP-0019165-B1 PROCESS FOR PREPARING 1,3,7-TRIALKYLXANTHINES SOCIETE DES PRODUITS NESTLE S.A. (CH) 1985-07-31 EP claimed
US-4524025-A Hybridoma cell lines and monoclonal antibodies to theophylline E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-18 US claimed
US-4521510-A IMMUNDASSAY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-06-04 US claimed
US-4450163-A ANTIBODY INHIBITORS; N-ALKYLATION OF XANTHINES USING PHASE TRANSFER AGENTS SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1984-05-22 US claimed
EP-0098179-A2 Hybridoma cell lines and monoclonal antibodies to theophylline E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-01-11 EP claimed

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-20250171518-A1 METHODS FOR PREPARING CELLS FOR ADOPTIVE T CELL THERAPY CD4, ICOS, CD2 ADORA2A 1643/4885PDE4A 3643/4885PDE4B 3725/4885

“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.