SCHEMBL6576827

SCHEMBL6576827

CC(C)c1noc([C@H]2O[C@@H](n3cnc4c(Nc5ccc(F)c(F)c5)ncnc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.53
ADORA1 P30542 4/20 0.53
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
PMP22 Q01453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
NPY1R P25929 1/20 0.47
HTT P42858 1/20 0.47
NPY2R P49146 1/20 0.47
RAB9A P51151 1/20 0.47
SLC29A1 Q99808 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL6576848 0.87 ADORA3 (0.53) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6572759 0.87 ADORA3 (0.54) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6572914 0.86 ADORA3 (0.48) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6575053 0.83 ADORA3 (0.64) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6576787 0.81 ADORA3 (0.58) ADORA3ADORA1PMP22SMN1; SMN2HTT
SCHEMBL6576944 0.81 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574486 0.79 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6257355 0.79 ADORA1 (0.59) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6573967 0.77 ADORA3 (0.52) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6576696 0.76 ADORA3 (0.56) ADORA3ADORA1LMNAALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP claimed
JP-3378240-B2 2003-02-17 JP claimed
US-6492348-B1 Adenosine derivatives SMITHKLINE BEECHAM CORPORATION 2002-12-10 US claimed
JP-2002518509-A 2002-06-25 JP claimed
EP-1090019-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP claimed
WO-1999067262-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO claimed
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 ADORA3 1/4885ADORA1 3/4885LMNA 1446/4885

“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.