SCHEMBL6554017

SCHEMBL6554017

O=C(Cl)/C=C/c1ccc(-c2nc3c(=O)n(CC4CCCCC4)c(=O)n(CC4CCCCC4)c3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.63
ADORA3 P0DMS8 7/20 0.63
ADORA1 P30542 4/20 0.63
ADORA2A P29274 3/20 0.63
RARB P10826 1/20 0.36
MTOR P42345 8/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL6555070 0.93 ADORA2B (0.74) ADORA2BADORA3ADORA1ADORA2ARARB
SCHEMBL6555076 0.93 ADORA2B (0.74) ADORA2BADORA3ADORA1ADORA2ARARB
SCHEMBL5616732 0.93 ADORA2B (0.74) ADORA2BADORA3ADORA1ADORA2ARARB
SCHEMBL5616731 0.93 ADORA2B (0.74) ADORA2BADORA3ADORA1ADORA2ARARB
Hydrochloric Acid SCHEMBL6554025 0.92 ADORA2B (0.73) ADORA2BADORA3ADORA1ADORA2ARARB
SCHEMBL6554054 0.91 ADORA2B (0.72) ADORA2BADORA3ADORA1ADORA2ARARB
SCHEMBL6554049 0.91 ADORA2B (0.72) ADORA2BADORA3ADORA1ADORA2ARARB
Ethylene SCHEMBL6745654 0.91 ADORA2B (0.74) ADORA2BADORA3ADORA1ADORA2ARARB
Ethylene SCHEMBL6745653 0.91 ADORA2B (0.74) ADORA2BADORA3ADORA1ADORA2ARARB
Ethylene SCHEMBL7664290 0.91 ADORA2B (0.74) ADORA2BADORA3ADORA1ADORA2ARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770267-B2 Methods of treating periodontal disease SMITHKLINE BEECHAM CORPORATION 2004-08-03 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
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
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 (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-20040034020-A1 Methods of treating periodontal disease MMP8, LPO, PTGES3 ADORA2B 680/4885ADORA3 730/4885ADORA1 1338/4885
US-20030032804-A1 Methods of treating periodontal disease HPGDS, SELP, ALPI ADORA2B 439/4885ADORA3 656/4885ADORA1 531/4885

“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.