SCHEMBL1460591

SCHEMBL1460591

CCCn1cnc2[nH]c(=O)[nH]c(=O)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.63
PDE4A P27815 7/20 0.56
PDE4B Q07343 7/20 0.56
PDE4C Q08493 7/20 0.56
PDE4D Q08499 7/20 0.56
ADORA2A P29274 6/20 0.56
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
ADORA2B P29275 1/20 0.43
CNOT7 Q9UIV1 1/20 0.43
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40

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
SCHEMBL21389489 0.91 GDA (0.59) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL9194843 0.87 GDA (0.62) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL11380140 0.85 GDA (0.56) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL10181080 0.84 ADORA2A (0.54) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL25286007 0.84 GDA (0.55) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL7453665 0.83 GDA (0.58) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL10408059 0.81 GDA (0.55) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL10408058 0.81 GDA (0.55) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL18175084 0.80 GDA (0.54) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL7454607 0.80 GDA (0.54) GDAPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025046257-A1 A SUBSTANTIALLY PURE PROPENTOFYLLINE AND PREPARATION THEREOF HIKAL LIMITED (IN) 2025-03-06 WO claimed
US-6710051-B1 SUBSTANCES IS A XANTHINE AND IS ADMINISTERED IN A DOSAGE OF 7.5-750 MG 1-4 TIMES DAILY TO TREAT MYOPIA KLAUS TRIER APS (DK) 2004-03-23 US claimed
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 US claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO claimed
EP-0252043-A1 Method for the preparation of 3-n-propyl-xanthine Aktiebolaget Draco (SE) 1988-01-07 EP claimed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
EP-2473053-A1 SUBSTITUTED XANTHINE DERIVATIVES Concert Pharmaceuticals Inc. (US) 2012-07-11 EP disclosed
EP-2473052-A1 SUBSTITUTED XANTHINE DERIVATIVES Concert Pharmaceuticals Inc. (US) 2012-07-11 EP disclosed
WO-2011028922-A1 SUBSTITUTED XANTHINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-03-10 WO disclosed
WO-2011028835-A1 SUBSTITUTED XANTHINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-03-10 WO disclosed
WO-2008033754-A2 XANTHINE DERIVATIVES IN METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR DEPRESSION DUKE UNIVERSITY (US) 2008-03-20 WO disclosed
US-6710051-B1 SUBSTANCES IS A XANTHINE AND IS ADMINISTERED IN A DOSAGE OF 7.5-750 MG 1-4 TIMES DAILY TO TREAT MYOPIA KLAUS TRIER APS (DK) 2004-03-23 US disclosed
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 US disclosed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO disclosed
US-5055457-A Antiviral; sulfated polysaccharide and xanthine derivative HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed
EP-0252043-A1 Method for the preparation of 3-n-propyl-xanthine Aktiebolaget Draco (SE) 1988-01-07 EP disclosed
EP-0252043-A1 Method for the preparation of 3-n-propyl-xanthine Aktiebolaget Draco (SE) 1988-01-07 EP 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-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium RYR1, ATP2A2, ATP2A1 GDA 2944/4885PDE4A 818/4885PDE4B 1069/4885

“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.