SCHEMBL6573017

SCHEMBL6573017

COC(=O)[C@H]1O[C@@H](n2cnc3c(NC(C)C)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.49
ADORA2A P29274 5/20 0.48
ADORA2B P29275 5/20 0.48
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
DOT1L Q8TEK3 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL6573922 0.90 ADORA2A (0.56) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL7063992 0.90 ADORA2A (0.56) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL6572654 0.88 ADORA3 (0.49) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL6574065 0.86 ADORA2A (0.59) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6573057 0.77 ADORA2A (0.69) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6575255 0.75 ADORA2A (0.58) ADORA2AADORA2BADORA3ADORA1
SCHEMBL14113287 0.74 P2RY12 (0.54) ADORA2AADORA2BADORA3
SCHEMBL13400312 0.74 PI4KA (0.53) AHCYADORA2AADORA2BPI4KAPI4K2B
SCHEMBL18009928 0.73 P2RY12 (0.47) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL6572707 0.73 ADORA2A (0.56) ADORA2AADORA2BADORA3ADORA1

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 AHCY 1049/4885ADORA2A 2/4885ADORA2B 4/4885

“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.