SCHEMBL7063992

SCHEMBL7063992

CC(C)Nc1ncnc2c1ncn2C1OC(C(=O)O)C2OC(C)(C)OC21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.56
ADORA2B P29275 8/20 0.56
DOT1L Q8TEK3 1/20 0.49
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 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
SCHEMBL6573922 1.00 ADORA2A (0.56) ADORA2AADORA2BDOT1LPI4KAPI4K2B
SCHEMBL6573017 0.90 AHCY (0.49) ADORA2AADORA2BDOT1LPI4KAPI4K2B
SCHEMBL6572654 0.90 ADORA3 (0.49) ADORA2AADORA2BDOT1LPI4KAPI4K2B
SCHEMBL6573057 0.86 ADORA2A (0.69) ADORA2AADORA2B
SCHEMBL13400312 0.83 PI4KA (0.53) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL14113287 0.83 P2RY12 (0.54) ADORA2AADORA2B
SCHEMBL23080211 0.83 PI4KA (0.52) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL21139456 0.83 PI4KA (0.52) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL22354944 0.83 PI4KA (0.69) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL20580185 0.83 PI4KA (0.69) ADORA2AADORA2BPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ADORA2A 2/4885ADORA2B 4/4885DOT1L 4576/4885

“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.