SCHEMBL6574213

SCHEMBL6574213

CC(C)(C)c1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCOCC5)nc(Cl)nc43)[C@H](O)[C@@H]2OC=O)o1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.51
ADORA1 P30542 9/20 0.51
ADORA2A P29274 5/20 0.51
ADORA2B P29275 4/20 0.51
NT5E P21589 2/20 0.48

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
SCHEMBL6574215 0.96 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL6574492 0.94 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BNT5E
Formic Acid SCHEMBL6574218 0.91 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574495 0.90 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BNT5E
Formic Acid SCHEMBL6574490 0.85 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6573904 0.81 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2BNT5E
SCHEMBL6574578 0.79 ADORA2A (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6664527 0.73 ADORA3 (0.65) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6572926 0.73 ADORA3 (0.56) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6573870 0.72 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.