SCHEMBL6574532

SCHEMBL6574532

CON(C)C(=O)[C@H]1O[C@@H](n2cnc3c(=S)[nH]cnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ P2RX1 P51575 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ ADORA3 P0DMS8 4/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ AHCY P23526 2/20 0.36
▸ ADORA2B P29275 1/20 0.35
▸ AMD1 P17707 2/20 0.34
▸ STING1 Q86WV6 3/20 0.33

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
SCHEMBL18009771 0.83 PI4KA (0.61) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL6574526 0.82 ALDH1A1 (0.44) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL7680471 0.81 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6572792 0.81 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18009829 0.75 LMNA (0.49) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL6841471 0.73 ADORA3 (0.51) ADORA3ADORA1ADORA2B
SCHEMBL6839107 0.71 ADORA3 (0.55) ADORA3ADORA1ADORA2B
SCHEMBL18009869 0.70 PRMT5 (0.42) —
SCHEMBL18009679 0.70 PRMT5 (0.41) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL24489756 0.70 PRMT5 (0.41) ADORA3ADORA1

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 ALDH1A1 239/4885LMNA 1446/4885TDP1 638/4885

“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.

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