SCHEMBL6572771

SCHEMBL6572771

CC1(C)O[C@@H]2[C@H](O1)[C@H](n1cnc3c(On4nnc5ccccc54)ncnc31)O[C@@H]2c1nc(C(C)(C)C)no1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32
AMD1 P17707 2/20 0.32
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL6572765 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6572874 0.73 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6572871 0.73 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6573859 0.71 ADORA3 (0.46) PI4KAPI4K2BPI4K2API4KB
SCHEMBL6573865 0.71 ADORA3 (0.46) PI4KAPI4K2BPI4K2API4KB
SCHEMBL13239669 0.70 SLC29A1 (0.42) RXFP1SLC29A1
SCHEMBL13239670 0.68 SLC29A1 (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13265449 0.68 SLC29A1 (0.64) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13265429 0.68 SLC29A1 (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL13265430 0.67 ADORA2A (0.39) RXFP1

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.