SCHEMBL724943

SCHEMBL724943

Nc1ncnc2c1N(C1CC1)CN2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
DOT1L Q8TEK3 3/20 0.50
HIF1A Q16665 2/20 0.50
STAT6 P42226 2/20 0.50
DPP4 P27487 1/20 0.50
MEN1 O00255 1/20 0.50
SLC28A1 O00337 1/20 0.50
MAP3K7 O43318 1/20 0.50
SLC28A2 O43868 1/20 0.50
GAPDH P04406 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
PI4KA P42356 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
SLC29A1 Q99808 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50

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
SCHEMBL830796 0.86 MAPK1 (0.50) MAPK1DOT1LHIF1ASTAT6DPP4
SCHEMBL1936244 0.86 ADK (0.50) MAPK1DOT1LHIF1ASTAT6DPP4
SCHEMBL27767961 0.86 DOT1L (0.50) MAPK1DOT1LHIF1ASTAT6DPP4
SCHEMBL15973691 0.86 ADK (0.50) MAPK1DOT1LHIF1ASTAT6DPP4
SCHEMBL1666083 0.86 HSPA5 (0.52) MAPK1DOT1LHIF1ASTAT6DPP4
SCHEMBL830795 0.86 MAPK1 (0.50) MAPK1DOT1LHIF1ASTAT6DPP4
SCHEMBL1936249 0.86 ADK (0.50) MAPK1DOT1LHIF1ASTAT6DPP4
SCHEMBL3841527 0.86 DOT1L (0.50) MAPK1DOT1LHIF1ASTAT6DPP4
Ammonia Solution, Strong SCHEMBL28844518 0.85 HSPA5 (0.51) MAPK1DOT1LHIF1ASTAT6DPP4
SCHEMBL1665379 0.85 HSPA5 (0.51) MAPK1DOT1LHIF1ASTAT6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230273228-A1 Diagnostic Method and Compounds for the Treatment of Infections Caused by a Pathogen SOLUTEX GC, S.L. (ES) 2023-08-31 US claimed
EP-4183392-A1 DIAGNOSTIC METHOD AND COMPOUNDS FOR THE TREATMENT OF INFECTIONS CAUSED BY A PATHOGEN Solutex GC, S. L. (ES) 2023-05-24 EP claimed
EP-1272897-B1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER UNIV NEW YORK (US) 2008-05-07 EP claimed
US-6555545-B2 Adenosine, caffeine, and 8-styryl-1,3,7-alkyl xanthine derivatives as wound healing agents NEW YORK UNIVERSITY 2003-04-29 US claimed
EP-1272897-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2003-01-08 EP claimed
WO-2001058241-A9 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER UNIV NEW YORK (US) 2002-10-17 WO claimed
US-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver NEW YORK UNIVERSITY 2002-01-03 US claimed
WO-2001058241-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2001-08-16 WO claimed
US-20230273228-A1 Diagnostic Method and Compounds for the Treatment of Infections Caused by a Pathogen SOLUTEX GC, S.L. (ES) 2023-08-31 US disclosed
EP-4183392-A1 DIAGNOSTIC METHOD AND COMPOUNDS FOR THE TREATMENT OF INFECTIONS CAUSED BY A PATHOGEN Solutex GC, S. L. (ES) 2023-05-24 EP disclosed
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity NORTHEASTERN UNIVERSITY 2016-03-10 US disclosed
US-20130324461-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY SITKOVSKY MICHAIL V (US) 2013-12-05 US disclosed
EP-2608794-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY Northeastern University (US) 2013-07-03 EP disclosed
WO-2012027695-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY NORTHEASTERN UNIVERSITY (US) 2012-03-01 WO disclosed
US-6555545-B2 Adenosine, caffeine, and 8-styryl-1,3,7-alkyl xanthine derivatives as wound healing agents NEW YORK UNIVERSITY 2003-04-29 US disclosed
EP-1272897-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2003-01-08 EP disclosed
WO-2001058241-A9 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER UNIV NEW YORK (US) 2002-10-17 WO disclosed
US-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver NEW YORK UNIVERSITY 2002-01-03 US disclosed
WO-2001058241-A2 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER NEW YORK UNIVERSITY (US) 2001-08-16 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 (3 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-20130324461-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY ADORA2A, ADORA3, ADORA1 MAPK1 2267/4885DOT1L 3275/4885HIF1A 689/4885
US-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver ADORA2A, ADORA1, ADORA2B MAPK1 3324/4885DOT1L 4017/4885HIF1A 920/4885
US-20160067271-A1 Methods And Compositions For Preventing Or Treating Obesity ADORA2A, ADORA3, ADORA1 MAPK1 2267/4885DOT1L 3275/4885HIF1A 689/4885

“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.