SCHEMBL6574588

SCHEMBL6574588

CC(O)CNC(=O)[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
HSP90B1 P14625 4/20 0.46
HSP90AA1 P07900 3/20 0.46
ADORA3 P0DMS8 5/20 0.44
ADORA2B P29275 5/20 0.44
ADORA2A P29274 5/20 0.44
ADORA1 P30542 3/20 0.44
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 1/20 0.43
TMIGD3 P0DMS9 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
AHCY P23526 1/20 0.43

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
SCHEMBL6574541 0.87 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL6572781 0.86 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL7680458 0.86 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL7662387 0.86 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL6914454 0.86 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL23080211 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL21139456 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL14075793 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL6573811 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBHSP90B1
SCHEMBL13975991 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBHSP90B1

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 PI4KA 1727/4885PI4K2B 2708/4885PI4K2A 1729/4885

“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.