SCHEMBL843472

SCHEMBL843472

C=CCn1cnc2[nH]c(=O)[nH]c(=O)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.53
ADORA2B P29275 3/20 0.44
PDE4A P27815 1/20 0.40
ADORA2A P29274 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARN O95453 1/20 0.33
CNOT7 Q9UIV1 1/20 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
SCHEMBL9197448 0.82 GDA (0.57) GDAPDE4AADORA2APDE4BPDE4C
SCHEMBL5512566 0.79 GDA (0.57) GDAPDE4AADORA2APDE4BPDE4C
SCHEMBL9161807 0.79 GDA (0.57) GDAPDE4AADORA2APDE4BPDE4C
SCHEMBL9194843 0.79 GDA (0.62) GDAADORA2BPDE4AADORA2APDE4B
SCHEMBL1065848 0.78 GDA (0.53) GDAADORA2BALDH1A1PARNCNOT7
SCHEMBL10408058 0.77 GDA (0.55) GDAPDE4AADORA2APDE4BPDE4C
SCHEMBL1460591 0.76 GDA (0.63) GDAADORA2BPDE4AADORA2APDE4B
SCHEMBL9302134 0.76 ADORA2B (0.56) ADORA2BPDE4AADORA2APDE4BPDE4C
SCHEMBL9386098 0.75 GDA (0.57) GDAPDE4AADORA2APDE4BPDE4C
SCHEMBL11471010 0.75 GDA (0.57) GDAPDE4AADORA2APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-11958854-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2024-04-16 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
EP-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 EP disclosed
WO-2006045565-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-04 WO disclosed
WO-2005077950-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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

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-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver ADORA2A, ADORA1, ADORA2B GDA 273/4885ADORA2B 3/4885PDE4A 80/4885
US-11958854-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 GDA 1004/4885ADORA2B 577/4885PDE4A 615/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 GDA 1004/4885ADORA2B 577/4885PDE4A 615/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 GDA 1004/4885ADORA2B 577/4885PDE4A 615/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 GDA 1004/4885ADORA2B 577/4885PDE4A 615/4885

“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.