SCHEMBL6574672

SCHEMBL6574672

OC[C@H]1O[C@@H](n2cnc3c(NC4CCOCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.89
ADORA1 P30542 8/20 0.89
ADORA2A P29274 8/20 0.89
ADORA2B P29275 5/20 0.89
MEN1 O00255 1/20 0.85
CYP1A2 P05177 1/20 0.85
MAPK1 P28482 1/20 0.85
KMT2A Q03164 1/20 0.85
RXFP1 Q9HBX9 1/20 0.84
HTR2C P28335 1/20 0.69

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
SCHEMBL6574678 1.00 ADORA3 (0.89) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL7169928 0.94 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL3950397 0.94 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL5393611 0.94 ADORA3 (0.92) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL3956133 0.94 ADORA3 (0.92) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL3950346 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL2461163 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL12264514 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL29354999 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL2492838 0.92 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1202118-C Adenosine derivatives GLAXO GROUP LTD (GB) 2005-05-18 CN disclosed
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed
US-6677316-B2 TREATING ISCHEMIA, CARDIOVASCULAR DISORDERS, STROKE, PAIN, NERVOUS SYSTEM DISORDERS OR SLEEP APNEA; ADENOSINE A1 RECEPTOR AGONIST; 2-(3-(TERT-BUTYL)-1,2,4-OXADIAZOL-5-YL)-5-(6-(ISOBUTYLAMINO)-9H-PURIN-9-YL) TETRAHYDROFURAN-3,4-DIOL SMITHKLINE BEECHAM CORPORATION 2004-01-13 US disclosed
US-20030096788-A1 Adenosine derivatives GLAXO WELLCOME INC. 2003-05-22 US disclosed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US disclosed
CN-1314910-A Adenosine derivatives GLAXO GROUP LTD (GB) 2001-09-26 CN disclosed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 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 (1 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-20030096788-A1 Adenosine derivatives ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885ADORA2A 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.