SCHEMBL864455

SCHEMBL864455

O=c1[nH]c(=O)n(O)c2nc[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.58
PDE4A P27815 4/20 0.58
PDE4B Q07343 4/20 0.58
PDE4C Q08493 4/20 0.58
PDE4D Q08499 4/20 0.58
ADORA2B P29275 5/20 0.55
ADORA3 P0DMS8 2/20 0.55
ADORA1 P30542 2/20 0.55
HPGD P15428 1/20 0.55
BLM P54132 1/20 0.55
PDE3A Q14432 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PNP P00491 2/20 0.53
GDA Q9Y2T3 2/20 0.43
ACHE P22303 1/20 0.43
DAO P14920 1/20 0.42
MPO P05164 2/20 0.41
TPO P07202 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ATAD2 Q6PL18 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
3-Methylxanthine SCHEMBL237146 0.81 ADORA2A (0.64) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL4020124 0.80 ADORA2A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
3-Methylxanthine SCHEMBL9317914 0.80 ADORA2A (0.62) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL18112639 0.78 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL28142117 0.78 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5513199 0.78 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL28337267 0.78 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3699117 0.75 PDE4A (0.73) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5515323 0.74 ADORA2A (0.71) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL20653044 0.74 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D

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
WO-2010114493-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-07 WO claimed
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 US disclosed
US-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-03-29 US disclosed
WO-2010114493-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-07 WO disclosed
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
US-20080070303-A1 Using myocardial and/or muscle progenitor cells as modeling tool in tissue engineering; regenerative medicine and organ replacement ADVANCED CELL TECHNOLOGY 2008-03-20 US disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed
US-6004966-A ANTIISCHEMIC AGENTS; PYRAZOLO(3,4-D)PYRIMIDINDE, PURINE, ANDPTERIDINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 1999-12-21 US disclosed
EP-0796099-A1 USE OF XANTHINE OXIDASE INHIBITORS AS ANTI-ISCHAEMIC AGENTS BTG INTERNATIONAL LIMITED (GB) 1997-09-24 EP disclosed
WO-1996017610-A1 USE OF XANTHINE OXIDASE INHIBITORS AS ANTI-ISCHAEMIC AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-06-13 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-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER IAPP, RNASE1, LETM1 ADORA2A 4738/4885PDE4A 3649/4885PDE4B 3747/4885

“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.