Xanthine Amine Congener

Xanthine Amine Congener

SCHEMBL1000686

CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCN)cc3)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 1.00
ADORA2B P29275 6/20 1.00
ADORA3 P0DMS8 2/20 1.00
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP3A4 P08684 1/20 1.00
MAPT P10636 1/20 1.00
HPGD P15428 1/20 1.00
ALOX15 P16050 1/20 1.00
ADORA1 P30542 1/20 1.00
PMP22 Q01453 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HSD17B10 Q99714 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
Xanthine Amine Congener SCHEMBL25227375 0.99 ADORA2A (0.98) ADORA2AADORA2BADORA3KDM4EALDH1A1
Xanthine Amine Congener SCHEMBL15124872 0.99 ADORA2A (0.98) ADORA2AADORA2BADORA3KDM4EALDH1A1
SCHEMBL7038268 0.92 ADORA2A (0.85) ADORA2AADORA2BADORA3KDM4EALDH1A1
SCHEMBL10420682 0.92 ADORA2A (0.91) ADORA2AADORA2BADORA3KDM4EALDH1A1
SCHEMBL9159693 0.87 ADORA2A (0.77) ADORA2AADORA2BADORA3KDM4EALDH1A1
Xanthine Amine Congener SCHEMBL1755129 0.86 ADORA2A (0.76) ADORA2AADORA2BADORA3KDM4EALDH1A1
SCHEMBL7220958 0.86 ADORA2B (1.00) ADORA2AADORA2BADORA3KDM4EALDH1A1
SCHEMBL9164820 0.85 ADORA2B (0.80) ADORA2AADORA2BADORA3KDM4EALDH1A1
SCHEMBL7235224 0.85 ADORA2B (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL14564549 0.84 ADORA2A (0.75) ADORA2AADORA2BADORA3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION 2023-09-14 US claimed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 WO claimed
US-20190209594-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2019-07-11 US claimed
EP-1846578-A2 METHODS OF IDENTIFYING GENES WHICH MODULATE MYELINATION Elan Pharmaceuticals Inc. (US) 2007-10-24 EP claimed
US-20070054876-A1 Pharmaceutical composition promoting defecation YASUDA MASAHIRO 2007-03-08 US claimed
WO-2006086761-A2 METHODS OF IDENTIFYING GENES WHICH MODULATE MYELINATION ELAN PHARMACEUTICALS, INC. (US) 2006-08-17 WO claimed
US-20060183147-A1 Methods of identifying genes which modulate myelination ELAN PHARMACEUTICALS, INC. 2006-08-17 US claimed
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO claimed
US-20050181503-A1 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US claimed
EP-1510222-A2 Medicinal compositions promoting bowel movement Eisai Co. Ltd. (JP) 2005-03-02 EP claimed
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-23 US claimed
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 US claimed
US-20030171383-A1 Medicinal compositions promoting bowel movement EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-11 US claimed
EP-1283056-A1 MEDICINAL COMPOSITIONS PROMOTING BOWEL MOVEMENT Eisai Co., Ltd. (JP) 2003-02-12 EP claimed
US-20020165197-A1 Administering adenosine receptor ligand CAN-FITE BIOPHARMA LTD. (IL) 2002-11-07 US claimed
US-20020115635-A1 Modulation of GSK-3beta activity and its different uses CAN-FITE TECHNOLOGIES LTD. (IL) 2002-08-22 US claimed
US-5424297-A Adenosine dextran conjugates UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1995-06-13 US claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
US-5298508-A Compounds as ligands for cardiovascular disorders or stimulant of immunology THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-03-29 US disclosed
WO-1990012797-A1 SULFER-CONTAINING XANTHINE DERIVATIVES AS ADENOSIN ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1990-11-01 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 (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-20070054876-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885ADORA2B 1/4885ADORA3 4/4885
US-20230285556-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, CD4, MCL1 ADORA2A 1801/4885ADORA2B 2902/4885ADORA3 3648/4885
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium RYR1, ATP2A2, ATP2A1 ADORA2A 414/4885ADORA2B 826/4885ADORA3 473/4885
US-20040259865-A1 Pyrimidone compounds and pharmaceutical compositions containing the same ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885ADORA3 3/4885
US-20030171383-A1 Medicinal compositions promoting bowel movement ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA2B 3/4885ADORA3 2/4885

“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.