SCHEMBL516014

SCHEMBL516014

CCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.72
ADORA2A P29274 2/20 0.72
PDE4A P27815 1/20 0.72
PDE4B Q07343 1/20 0.72
PDE4C Q08493 1/20 0.72
PDE4D Q08499 1/20 0.72
LMNA P02545 3/20 0.71
MAPT P10636 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.66
RXFP1 Q9HBX9 1/20 0.64
POLB P06746 2/20 0.64
PIK3CD O00329 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CNR1 P21554 1/20 0.64
ACHE P22303 1/20 0.64
ADORA1 P30542 1/20 0.64
NTSR1 P30989 1/20 0.64
MC3R P41968 1/20 0.64
NOTUM Q6P988 1/20 0.64
SIRT3 Q9NTG7 1/20 0.64

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
SCHEMBL16120984 0.89 ADORA2B (0.81) ADORA2BADORA2ALMNAMAPTSMN1; SMN2
SCHEMBL16558001 0.89 ADORA2B (0.70) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL8443037 0.88 ADORA2B (0.77) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL19533057 0.88 ADORA2B (0.73) ADORA2BADORA2ALMNAMAPTSMN1; SMN2
Hexanal SCHEMBL27324985 0.87 ADORA2B (0.61) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL515570 0.87 PDE4A (0.83) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL22471417 0.87 ADORA2B (0.68) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL19370573 0.86 ADORA2B (0.71) ADORA2BADORA2ALMNAMAPTSMN1; SMN2
SCHEMBL16120979 0.86 ADORA2B (0.85) ADORA2BADORA2ALMNAMAPTSMN1; SMN2
SCHEMBL16120975 0.86 ADORA2B (0.88) ADORA2BADORA2ALMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119812357-A Membrane electrode of oxyhydrogen fuel cell and oxyhydrogen fuel cell comprising same 北京大学 2025-04-11 CN claimed
CN-117919253-A Application of xanthine compound in preparation of medicines for activating primordial follicles 华南理工大学 2024-04-26 CN claimed
US-20200062782-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2020-02-27 US claimed
WO-2018045464-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2018-03-15 WO claimed
US-20260083743-A1 NUCLEOSIDE DERIVATIVE FOR PREVENTING AND TREATING INFLAMMATION AND APPLICATION THEREOF WEST CHINA HOSPITAL OF SICHUAN UNIVERSITY (CN) 2026-03-26 US disclosed
US-20250386846-A1 Food Compositions Including Aragonite NANT HOLDINGS IP LLC (US) 2025-12-25 US disclosed
US-12419336-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-09-23 US disclosed
US-20250194654-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2025-06-19 US disclosed
US-12310392-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-05-27 US disclosed
CN-119812357-A Membrane electrode of oxyhydrogen fuel cell and oxyhydrogen fuel cell comprising same 北京大学 2025-04-11 CN disclosed
US-20240381918-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2024-11-21 US disclosed
CN-115850279-B Theophylline derived spontaneous combustion ionic salt and preparation method thereof 哈尔滨工业大学(深圳) 2024-11-15 CN disclosed
WO-2001093832-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED DOSAGE REQUIREMENTS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093833-A2 KITS AND METHODS FOR OPTIMIZING THE EFFICACY OF CHONDROPROTECTIVE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 WO disclosed
CN-1143115-A Method for producing 3-methyl-7-alkyl-yellow purine micro-organism AMANO PHARMA CO LTD (JP) 1997-02-19 CN disclosed
US-5550041-A PRODUCING 3-METHYL-7-ALKYLXANTHINE BY CULTIVATING PSEUDOMONAS TRANSFORMED TO PRODUCE CAFFEINE DEMETHYLASE IN NUTRIENT MEDIUM CONTAINING 1,3-DIMETHYL-7-ALKYLXANTHINE AMANO PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
CN-1088259-A DNA fragment containing caffeine demethylase gene and microbial process for producing 3-methyl-7-alkylxanthine AMANO PHARMA CO LTD (JP) 1994-06-22 CN disclosed
CN-1010347-B Method for improving ammonia development rate of diazo blueprint paper STATE CHANGSH CHEMICAL PHOTOGR (CN) 1990-11-07 CN disclosed
CN-1030828-A Improve the method for ammonia developing rate of heavy-nitrogen printing paper STATE OWNED CHANGSHA CHEMICAL (CN) 1989-02-01 CN 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-20200062782-A1 BIFUNCTIONAL ALPHA-SYNUCLEIN BINDING AGENTS AND USES THEREOF SNCA, PARK7, SYNJ2 ADORA2B 2511/4885ADORA2A 2007/4885PDE4A 3046/4885
US-20260083743-A1 NUCLEOSIDE DERIVATIVE FOR PREVENTING AND TREATING INFLAMMATION AND APPLICATION THEREOF SLC5A1, PC, LDHA ADORA2B 102/4885ADORA2A 314/4885PDE4A 2742/4885
US-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 ADORA2B 1369/4885ADORA2A 2335/4885PDE4A 3601/4885

“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.