SCHEMBL6574526

SCHEMBL6574526

COCNC(=O)[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PI4KA P42356 1/20 0.42
▸ PI4K2B Q8TCG2 1/20 0.42
▸ PI4K2A Q9BTU6 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ AHCY P23526 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ HSP90B1 P14625 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL7680458 0.82 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL6572781 0.82 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL6574532 0.82 ALDH1A1 (0.44) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL6841470 0.75 ADORA3 (0.47) ADORA3ADORA2AADORA2BADORA1
SCHEMBL13689761 0.73 ADORA3 (0.71) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL13901807 0.73 ADORA3 (0.71) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL17297709 0.73 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL6839105 0.73 ADORA2A (0.55) ADORA3ADORA2AADORA2BADORA1
SCHEMBL13461158 0.70 HSP90B1 (0.59) ALDH1A1HSP90AA1ADORA3HSP90B1ADORA2A
SCHEMBL13433882 0.70 HSP90B1 (0.59) ALDH1A1HSP90AA1ADORA3HSP90B1ADORA2A

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
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
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 ALDH1A1 239/4885LMNA 1446/4885TDP1 638/4885

“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.

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