SCHEMBL5054173

SCHEMBL5054173

CCCn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.54
▸ PDE4A P27815 5/20 0.46
▸ PDE4B Q07343 5/20 0.46
▸ PDE4C Q08493 5/20 0.46
▸ PDE4D Q08499 5/20 0.46
▸ ADORA2A P29274 4/20 0.46
▸ GAA P10253 1/20 0.43
▸ PDE1A P54750 2/20 0.43
▸ PDE1B Q01064 2/20 0.43
▸ PDE1C Q14123 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ GDA Q9Y2T3 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL6233163 0.91 PNP (0.58) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL11661807 0.88 PNP (0.62) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL380137 0.87 PNP (0.50) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL7217325 0.85 PNP (0.49) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL5431750 0.84 GAA (0.48) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL9845196 0.84 ALDH1A1 (0.50) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL7530556 0.84 PNP (0.57) PNPADORA2AKMT2AADORA2BADORA1
SCHEMBL28702160 0.84 PNP (0.54) PNPGAAKMT2AADORA2BGDA
SCHEMBL27414457 0.84 PNP (0.54) PNPGAAKMT2AGDAALDH1A1
SCHEMBL4622185 0.84 PNP (0.49) PNPPDE4APDE4BPDE4CPDE4D

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 54 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-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 — — EP claimed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 — — WO 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
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 — — WO claimed
US-4980379-A ENHANCING EFFICIENCY BY REDUCING ADENOSINE LEVELS THE UNIVERSITY OF VIRGINIA (US) 1990-12-25 — — US claimed
JP-9003094-A — — None — — JP disclosed
JP-61088884-A — — None — — JP disclosed
EP-4436567-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS Astrocyte Pharmaceuticals, Inc. (US) 2024-10-02 — — EP disclosed
CN-110944994-B Quinoxaline derivatives as adenosine receptor antagonists 默克专利股份公司 2023-06-09 — — CN disclosed
WO-2023091791-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
US-10391041-B2 Sheet-shaped hair cosmetic and hair treatment method and scalp-wiping method using same KAO CORPORATION (JP) 2019-08-27 — — US disclosed
JP-H093094-A SERRATIO PROTEASE INHIBITOR MERCIAN CORP 1997-01-07 — — JP 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
JP-S6188884-A ENCEPHALINASE B-INHIBITING SUBSTANCE AND ITS PREPARATION SANKYO CO LTD 1986-05-07 — — JP disclosed
JP-S06188884-A — — 0001-01-01 — — JP 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-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 PNP 3194/4885PDE4A 818/4885PDE4B 1069/4885
US-10391041-B2 Sheet-shaped hair cosmetic and hair treatment method and scalp-wiping method using same CUTA, SUCLG1, PRKDC PNP 2781/4885PDE4A 2131/4885PDE4B 1782/4885

“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.

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