Sugi Predict

Sugi Predict / Compounds / SCHEMBL6572834

SCHEMBL6572834

SCHEMBL6572834

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)NNC(=O)C(C)(C)C)O[C@H]2n1cnc2c(Cl)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ ADORA3 P0DMS8 7/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ADORA2B P29275 5/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2A P29274 3/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ HSP90B1 P14625 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL7059314 1.00 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13966427 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL14075793 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL21139456 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL6573811 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL23080211 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13975991 0.83 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL24600719 0.83 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL6574541 0.83 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL7680458 0.82 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBADORA3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239882-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT3 AGONISTS GLAXO GROUP LTD (GB) 2004-09-29 — — EP disclosed
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
EP-1239878-B1 FORMULATIONS OF ADENOSINE A1 AGONISTS AND 5HT1 AGONISTS GLAXO GROUP LTD (GB) 2004-02-25 — — 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-20030018008-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-23 — — US disclosed
US-20030008842-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-09 — — US disclosed
US-20030004129-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-02 — — US disclosed
US-20030004127-A1 Formulations of adenosine a1 agonists BOUNTRA CHARANJIT (GB) 2003-01-02 — — US disclosed
EP-1239883-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2002-09-18 — — EP disclosed
EP-1239881-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2002-09-18 — — EP disclosed
WO-2001045714-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 — — WO disclosed
WO-2001045682-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 — — WO disclosed
WO-2001045684-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 — — WO disclosed
WO-2001045683-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 — — WO disclosed
WO-2001045715-A2 COMBINATIONS OF AN ADENOSINE A1 AGONIST WITH AN OPIOID AND THEIR USE IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2001-06-28 — — WO disclosed
WO-2001045686-A2 FORMULATIONS OF ADENOSINE A1 AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-28 — — WO 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 (5 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-20030004127-A1 Formulations of adenosine a1 agonists ADORA1, ADORA2A, ADORA3 PI4KA 4275/4885PI4K2B 4770/4885PI4K2A 4289/4885
US-20030096788-A1 Adenosine derivatives ADORA3, ADORA2A, ADORA1 PI4KA 1727/4885PI4K2B 2708/4885PI4K2A 1729/4885
US-20030018008-A1 Formulations of adenosine a1 agonists ADORA1, ADORA3, ADORA2A PI4KA 4395/4885PI4K2B 4803/4885PI4K2A 4410/4885
US-20030004129-A1 Formulations of adenosine a1 agonists ADORA1, ADORA2A, ADORA3 PI4KA 4073/4885PI4K2B 4594/4885PI4K2A 4081/4885
US-20030008842-A1 Formulations of adenosine a1 agonists ADORA1, ADORA2B, ADORA2A PI4KA 4187/4885PI4K2B 4710/4885PI4K2A 4358/4885

“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.