SCHEMBL6445754

SCHEMBL6445754

CC(C)O[C@@H](c1ccccc1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 9/20 0.57
▸ PRMT5 O14744 1/20 0.56
▸ WDR77 Q9BQA1 1/20 0.56
▸ ADORA1 P30542 2/20 0.54
▸ HIF1A Q16665 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ NADK O95544 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ DOT1L Q8TEK3 1/20 0.52
▸ DPP4 P27487 1/20 0.52

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
SCHEMBL788626 1.00 AHCY (0.57) AHCYPRMT5WDR77ADORA1HIF1A
SCHEMBL674401 1.00 AHCY (0.57) AHCYPRMT5WDR77ADORA1HIF1A
SCHEMBL9777803 0.88 AHCY (0.55) AHCYPRMT5WDR77ADORA1NADK
SCHEMBL24478703 0.84 PRMT5 (0.73) AHCYPRMT5WDR77ADORA1HIF1A
SCHEMBL22326785 0.80 PRMT5 (0.64) AHCYPRMT5WDR77ADORA1HIF1A
SCHEMBL21413837 0.80 PRMT5 (0.64) AHCYPRMT5WDR77ADORA1HIF1A
SCHEMBL800346 0.80 PRMT5 (0.64) AHCYPRMT5WDR77ADORA1HIF1A
SCHEMBL22326787 0.80 PRMT5 (0.64) AHCYPRMT5WDR77ADORA1HIF1A
SCHEMBL18520788 0.80 PRMT5 (0.64) AHCYPRMT5WDR77ADORA1HIF1A
SCHEMBL13173634 0.80 PRMT5 (0.64) AHCYPRMT5WDR77ADORA1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058669-A1 PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING NEDERLANDSE ORGANISATIE VOR TOEGEPASTNATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2002-05-16 — — US claimed
EP-0755254-B1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS UNIV PENNSYLVANIA (US) 2005-05-18 — — EP disclosed
US-20020058669-A1 PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING NEDERLANDSE ORGANISATIE VOR TOEGEPASTNATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2002-05-16 — — US disclosed
EP-0755254-A4 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS UNIV PENNSYLVANIA (US) 2002-01-16 — — EP disclosed
EP-1087776-A1 A PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2001-04-04 — — EP disclosed
EP-1044003-A4 COMPOSITIONS AND METHODS FOR USE IN ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED TISSUE INJURY UNIV PENNSYLVANIA (US) 2000-12-27 — — EP disclosed
EP-1044003-A1 COMPOSITIONS AND METHODS FOR USE IN ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED TISSUE INJURY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-10-18 — — EP disclosed
WO-1999065501-A1 A PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1999-12-23 — — WO disclosed
WO-1999034803-A1 COMPOSITIONS AND METHODS FOR USE IN ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED TISSUE INJURY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-07-15 — — WO disclosed
EP-0383759-B1 N6 SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS DISCOVERY THERAPEUTICS INC (US) 1998-09-09 — — EP disclosed
EP-0755254-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-01-29 — — EP disclosed
WO-1995026728-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-10-12 — — WO disclosed
WO-1995011681-A1 HUMAN ADENOSINE RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-05-04 — — WO disclosed
WO-1994023723-A1 ADENOSINE RECEPTOR AGONISTS FOR THE PROMOTION OF WOUND HEALING NEW YORK UNIVERSITY (US) 1994-10-27 — — 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-20020058669-A1 PROCESS FOR THE TREATMENT OF ORGANOPHOSPHATE POISONING ADORA3, ADORA1, ADORA2A AHCY 369/4885PRMT5 2315/4885WDR77 2679/4885

“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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