SCHEMBL6572796

SCHEMBL6572796

CCOC(=O)N1CCC(Nc2ncnc3c2ncn3[C@@H]2O[C@H](C#N)[C@H]3OC(C)(C)O[C@H]32)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
ADORA3 P0DMS8 5/20 0.46
ADORA2A P29274 3/20 0.45
ADORA2B P29275 3/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6797346 0.88 ADORA2A (0.54) ADORA1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL6574006 0.88 ADORA2A (0.54) ADORA1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL6573002 0.88 ADORA2A (0.51) ADORA1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL6576582 0.85 ADORA2A (0.48) ADORA1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL6576789 0.81 ADORA1 (0.46) ADORA1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL6576719 0.81 ADORA1 (0.46) ADORA1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL6262808 0.80 ADORA1 (0.58) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6262799 0.80 ADORA1 (0.58) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6262142 0.78 ADORA1 (0.49) ADORA1ALDH1A1HSD17B10NPC1HPGD
SCHEMBL6262148 0.78 ADORA1 (0.49) ADORA1ALDH1A1HSD17B10NPC1HPGD

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 ADORA1 3/4885ALDH1A1 239/4885HSD17B10 2177/4885

“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.