SCHEMBL6049561

SCHEMBL6049561

COCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)/C=C/c1ccc(-c2nc3c(=O)n(CC(C)C)c(=O)n(CC(C)C)c3[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.41
▸ ADORA3 P0DMS8 6/20 0.41
▸ ADORA2A P29274 6/20 0.39
▸ ADORA1 P30542 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ EGFR P00533 3/20 0.34
▸ ERBB2 P04626 3/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33

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
SCHEMBL6553577 0.94 ADORA2B (0.42) ADORA2BADORA3ADORA2AADORA1LMNA
SCHEMBL6049606 0.87 ADORA2B (0.51) ADORA2BADORA3ADORA2AADORA1
SCHEMBL6049598 0.85 ADORA2B (0.44) ADORA2BADORA3ADORA2AADORA1LMNA
SCHEMBL17691164 0.85 ADORA2B (0.44) ADORA2BADORA3ADORA2AADORA1LMNA
SCHEMBL6049644 0.85 ADORA2B (0.47) ADORA2BADORA3ADORA2AADORA1LMNA
SCHEMBL6049595 0.85 ADORA2B (0.52) ADORA2BADORA3ADORA2AADORA1TDP1
SCHEMBL6049716 0.84 ADORA2B (0.52) ADORA2BADORA3ADORA2AADORA1
SCHEMBL6049659 0.84 ADORA2B (0.43) ADORA2BADORA3ADORA2AADORA1EGFR
SCHEMBL6049615 0.84 ADORA2B (0.50) ADORA2BADORA3ADORA2AADORA1LMNA
SCHEMBL6555320 0.84 ADORA2B (0.44) ADORA2BADORA3ADORA2AADORA1P2RY12

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372661-B1 GLYCOL DERIVATVES OF XANTHINES FOR TREATING IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP claimed
US-6770267-B2 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2004-08-03 — — US claimed
US-20040072848-A1 Methods of treating irritable bowel syndrome and functional dyspepsia SMITHKLINE BEECHAM CORPORATION 2004-04-15 — — US claimed
US-20040034020-A1 Methods of treating periodontal disease DALUGE SUSAN MARY (US) 2004-02-19 — — US claimed
EP-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 — — EP claimed
US-6608069-B1 Treating AIDS-related diarrhea or infectious diarrhea, tissue damage or dermatitis associated with leukocyte infiltration into tissue, asthma, inflammatory bowel condition, eczema, or psoriasis SMITHKLINE BEECHAM CORPORATION 2003-08-19 — — US claimed
US-20030032804-A1 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2003-02-13 — — US claimed
EP-1104422-A1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-06-06 — — EP claimed
WO-2000009507-A1 PHENYL YANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-02-24 — — WO claimed
EP-1372661-B1 GLYCOL DERIVATVES OF XANTHINES FOR TREATING IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP disclosed
US-6770267-B2 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2004-08-03 — — US disclosed
US-20040072848-A1 Methods of treating irritable bowel syndrome and functional dyspepsia SMITHKLINE BEECHAM CORPORATION 2004-04-15 — — US disclosed
US-20040034020-A1 Methods of treating periodontal disease DALUGE SUSAN MARY (US) 2004-02-19 — — US disclosed
EP-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 — — EP disclosed
EP-1372661-A2 METHODS OF TREATING IRRITABLE BOWEL SYNDROME AND FUNCTIONAL DYSPEPSIA SmithKline Beecham Corporation (US) 2004-01-02 — — EP disclosed
US-6608069-B1 Treating AIDS-related diarrhea or infectious diarrhea, tissue damage or dermatitis associated with leukocyte infiltration into tissue, asthma, inflammatory bowel condition, eczema, or psoriasis SMITHKLINE BEECHAM CORPORATION 2003-08-19 — — US disclosed
US-20030032804-A1 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2003-02-13 — — US disclosed
WO-2002067942-A2 METHODS OF TREATING IRRITABLE BOWEL SYNDROME AND FUNCTIONAL DYSPEPSIA SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 — — WO disclosed
EP-1104422-A1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-06-06 — — EP disclosed
WO-2000009507-A1 PHENYL YANTHINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-02-24 — — 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 (3 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-20040034020-A1 Methods of treating periodontal disease MMP8, LPO, PTGES3 ADORA2B 680/4885ADORA3 730/4885ADORA2A 660/4885
US-20040072848-A1 Methods of treating irritable bowel syndrome and functional dyspepsia SI, XDH, SLC10A2 ADORA2B 247/4885ADORA3 164/4885ADORA2A 175/4885
US-20030032804-A1 Methods of treating periodontal disease HPGDS, SELP, ALPI ADORA2B 439/4885ADORA3 656/4885ADORA2A 300/4885

“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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