Isobutylmethylxanthine

Isobutylmethylxanthine

SCHEMBL50315

CC(C)Cn1c(=O)n(C)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
PDE4A P27815 9/20 1.00
PDE4B Q07343 9/20 1.00
PDE4C Q08493 9/20 1.00
PDE4D Q08499 9/20 1.00
PDE2A O00408 3/20 1.00
PDE1A P54750 3/20 1.00
PDE1B Q01064 3/20 1.00
PDE1C Q14123 3/20 1.00
CFTR P13569 2/20 1.00
ADORA1 P30542 2/20 1.00
CYP1A2 P05177 2/20 1.00
PDE5A O76074 1/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
MAPK1 P28482 1/20 1.00
SCN1A P35498 1/20 1.00
PDE6C P51160 1/20 1.00
PDE3B Q13370 1/20 1.00
PDE7A Q13946 1/20 1.00
PDE3A Q14432 1/20 1.00

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
Isobutylmethylxanthine SCHEMBL28814716 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE2A
Isobutylmethylxanthine SCHEMBL7637581 0.97 PDE4A (0.94) PDE4APDE4BPDE4CPDE4DPDE2A
Isobutylmethylxanthine SCHEMBL4262798 0.96 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DPDE2A
Isobutylmethylxanthine SCHEMBL3185038 0.91 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL239725 0.88 CFTR (1.00) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7367986 0.87 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE2A
Isobutylmethylxanthine SCHEMBL15168096 0.87 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL1958826 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL7096675 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL10579248 0.85 ADORA2B (1.00) PDE4APDE4BPDE4CPDE4DPDE2A

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

Appears in 18326 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122081207-A Co-culture method of cell culture meat and application of co-culture method in improving meat quality and flavor 2026-05-26 CN claimed
CN-122038274-A Method for inducing differentiation and maturation of alveolar organoids and application thereof 广州国家实验室 2026-05-15 CN claimed
EP-4736152-A1 METHODS OF PRODUCING A TUMOR AVATAR Ariel Scientific Innovations Ltd (IL) 2026-05-06 EP claimed
US-20260117192-A1 METHODS OF PRODUCING A TUMOR AVATAR ARIEL SCIENT INNOVATIONS LTD (IL) 2026-04-30 US claimed
US-12590289-B2 Medium-based method realized for differentiation of dental stem cells into neurons YEDITEPE UNIVERSITESI (TR) 2026-03-31 US claimed
EP-3521419-B1 METHOD FOR PRODUCING BROWN ADIPOCYTES AND COMPOSITION KYOTO PREFECTURAL PUBLIC UNIV CORP (JP) 2026-03-18 EP claimed
US-20260071183-A1 COMPOSITIONS AND METHODS RELATING TO ADIPOCYTE PRODUCTION BACONBIO LLC (US) 2026-03-12 US claimed
EP-4704933-A1 DEVICES AND METHODS FOR PREPARING AND CONDITIONING BIOLOGICAL ASSEMBLIES FOR MINIMALLY INVASIVE DELIVERY FOR TISSUE ENGINEERING, CELL THERAPIES AND OTHER THERAPEUTIC APPLICATIONS Volumina Medical SA (CH) 2026-03-11 EP claimed
US-20260060970-A1 Use of a Therapeutic Agent with Phosphodiesterase-7 Inhibitory Activity for the Treatment and Prevention of Diseases Associated with Chronic Fatigue, Exhaustion and/or Exertional Intolerance MITODICURE GMBH (DE) 2026-03-05 US claimed
US-12522805-B2 Method for obtaining cell spheroids D.I.V.A EXPERTISE (FR) 2026-01-13 US claimed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP claimed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US claimed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO claimed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 WO claimed
US-4404212-A ADMINISTERING ALONG WITH A HYDROLASE INHIBITOR; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1983-09-13 US claimed
US-4393063-A SYNERGISTIC COMBINATION OF LA PROSTACYCLINE AND A PHOSPHODIESTERASE INHIBITOR BURROUGHS WELLCOME CO. (US) 1983-07-12 US claimed
EP-0056057-A1 SUBSTITUTED ADENOSINE-3',5'-PHOSPHOBENZYL TRIESTER DERIVATIVES, METHOD FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING SUCH COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-07-21 EP claimed
WO-1982000293-A1 SUBSTITUTED ADENOSINE-3',5'-PHOSPHOBENZYL TRIESTER DERIVATIVES,METHOD FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING SUCH COMPOUNDS ENGELS J 1982-02-04 WO claimed
EP-0044527-A1 Substituted derivatives of benzyl triesters of cyclic adenosin-3',5'-phosphate, method for their preparation and pharmaceutical compositions containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-01-27 EP claimed
US-4288433-A THIOETHER AND A XANTHINE DERIVATIVE L'OREAL (FR) 1981-09-08 US claimed