SCHEMBL4423680

SCHEMBL4423680

CCCn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 1.00
ADORA2A P29274 11/20 1.00
PDE4A P27815 11/20 1.00
PDE4B Q07343 11/20 1.00
PDE4C Q08493 11/20 1.00
PDE4D Q08499 11/20 1.00
ADORA3 P0DMS8 6/20 1.00
HPGD P15428 1/20 0.60
ADORA1 P30542 1/20 0.60
BLM P54132 1/20 0.60
PDE3A Q14432 1/20 0.60
HSD17B10 Q99714 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
1-Methylxanthine SCHEMBL17748264 0.94 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL6233166 0.91 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL27395394 0.91 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL1892011 0.90 ADORA2B (0.92) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11661797 0.88 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL21381249 0.88 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL27396492 0.87 ADORA2A (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL380135 0.87 ADORA2A (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL7217322 0.86 ADORA2A (0.97) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL10181082 0.85 PDE4A (0.74) ADORA2BADORA2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3217985-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY Universitat de València (ES) 2017-09-20 EP claimed
WO-2016075285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY UNIVERSITAT DE VALÈNCIA (ES) 2016-05-19 WO claimed
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP claimed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP claimed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 EP claimed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 WO claimed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 WO claimed
US-6117878-A 8-phenyl- or 8-cycloalkyl xanthine antagonists of A2B human adenosine receptors UNIVERSITY OF VIRGINIA (US) 2000-09-12 US claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO claimed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US claimed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
US-4980379-A ENHANCING EFFICIENCY BY REDUCING ADENOSINE LEVELS THE UNIVERSITY OF VIRGINIA (US) 1990-12-25 US claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
US-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2025-06-05 US disclosed
US-20240368164-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF ASTROCYTE PHARMACEUTICALS, INC. 2024-11-07 US disclosed
EP-4436567-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS Astrocyte Pharmaceuticals, Inc. (US) 2024-10-02 EP disclosed
EP-0267607-B1 8-ARYLXANTHINES MARION MERRELL DOW INC. (US) 1991-11-27 EP disclosed
US-4980379-A ENHANCING EFFICIENCY BY REDUCING ADENOSINE LEVELS THE UNIVERSITY OF VIRGINIA (US) 1990-12-25 US disclosed
US-4975432-A IMPROVED BLOOD FLOW HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed
EP-0267607-A1 8-Arylxanthines MARION MERRELL DOW INC. (US) 1988-05-18 EP 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-20240368164-A1 PURINE NUCLEOSIDES, THEIR INTERMEDIATES, AND METHODS OF PREPARATION THEREOF NUDT1, PNP, UMPS ADORA2B 48/4885ADORA2A 23/4885PDE4A 282/4885
US-20250177405-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ADORA2A, ADORA3, ADORA1 ADORA2B 4/4885ADORA2A 1/4885PDE4A 32/4885

“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.