SCHEMBL10998

SCHEMBL10998

Cn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 3/20 0.53
PNP P00491 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PMP22 Q01453 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.36
BLM P54132 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
ADORA2A P29274 4/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
ADORA2B P29275 2/20 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
SCHEMBL4560085 1.00 GDA (0.53) GDAPNPMEN1KMT2APMP22
7-Methylxanthine SCHEMBL2466924 0.87 GDA (0.77) GDAPNPMEN1KMT2APMP22
Caffeine SCHEMBL1044373 0.82 ADORA2B (0.64) GDAPMP22CYP3A4MAPK1BLM
SCHEMBL15290224 0.81 ALDH1A1 (0.56) GDAPNPMEN1KMT2APMP22
SCHEMBL4379221 0.81 KMT2A (0.45) GDAPNPMEN1KMT2APMP22
SCHEMBL2352519 0.80 PNP (0.43) GDAPNPMEN1KMT2APMP22
Theophylline Anhydrous SCHEMBL8524559 0.79 ATAD2 (0.62) CYP3A4MAPK1LMNAMAPTTSHR
SCHEMBL5054173 0.78 PNP (0.54) GDAPNPMEN1KMT2AALDH1A1
SCHEMBL618978 0.77 PNP (0.44) GDAPNPMEN1KMT2APMP22
SCHEMBL133948 0.77 PNP (0.41) GDAPNPMEN1KMT2APMP22

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

Appears in 16045 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747263-A1 LIPID NANOPARTICLES AND USES THEREOF University of Connecticut (US) 2026-05-27 EP claimed
EP-4363043-B1 COMPOSITIONS FOR USE IN METHODS FOR INCREASING CANCER CELL SENSITIVITY TO ALTERNATING ELECTRIC FIELDS NOVOCURE GMBH (CH) 2026-04-22 EP claimed
EP-4728052-A1 SYSTEMS AND METHODS OF CELL TRANSPORT AT AMBIENT TEMPERATURE Bedford Research Foundation (US) 2026-04-22 EP claimed
EP-4719373-A1 PHOTODYNAMIC THERAPY COMBINATIONS FOR IMPROVEMENT OF ACTINIC KERATOSIS, ACNE AND BASAL CELL CARCINOMA Alexandroff, Anton (GB) 2026-04-08 EP claimed
US-12594421-B2 Compositions and methods for increasing cancer cell sensitivity to alternating electric fields NOVOCURE GMBH (CH) 2026-04-07 US claimed
EP-3521419-B1 METHOD FOR PRODUCING BROWN ADIPOCYTES AND COMPOSITION KYOTO PREFECTURAL PUBLIC UNIV CORP (JP) 2026-03-18 EP claimed
US-20260062414-A1 NOVEL COCRYSTALS OF METHYLXANTHINES, THEIR POLYMORPHS AND PROCESS THEREOF FERTIS INDIA PVT LTD (IN) 2026-03-05 US claimed
US-20260060970-A1 Use of a Therapeutic Agent with Phosphodiesterase-7 Inhibitory Activity for the Treatment and Prevention of Diseases Associated with Chronic Fatigue, Exhaustion and/or Exertional Intolerance MITODICURE GMBH (DE) 2026-03-05 US claimed
US-20260060949-A1 METHOD FOR TREATING DAMAGE INDUCED BY SLEEP DEPRIVATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-03-05 US claimed
EP-4696298-A2 PERSONAL CLEANSING COMPOSITION Byrne, Daniel (IE) 2026-02-18 EP claimed
US-4753945-A Stimulation of tear secretion with phosphodiesterase inhibitors EYE RESEARCH INSTITUTE OF RETINA FOUNDATION (US) 1988-06-28 US claimed
EP-0240511-A1 AEROSOL BIOCOMPATIBLES LTD. (GB) 1987-10-14 EP claimed
EP-0234854-A2 Use of phosphodiesterase inhibitors and cyclic nucleotide analogues for the manufacture of a medicament for stimulating tear secretion EYE RESEARCH INSTITUTE OF RETINA FOUNDATION (US) 1987-09-02 EP claimed
WO-1987001586-A1 AEROSOL BIOCOMPATIBLES LIMITED (GB) 1987-03-26 WO claimed
EP-0213083-A2 Controlled release tablet Zyma SA (CH) 1987-03-04 EP claimed
US-4568676-A SYNERGISTIC INHIBITION THOMAS JEFFERSON UNIVERSITY (US) 1986-02-04 US claimed
US-4562194-A BENZOPHENONE COMPOUND IN COMBINATION WITH 3-ISOBUTYL-1-METHYLANTHINE WARNER-LAMBERT COMPANY (US) 1985-12-31 US claimed
US-4390532-A MUCOPOLYSACCHARIDES, SHIN DISORDERS DR. CARL HAHN, G.M.B.H. (DE) 1983-06-28 US claimed
US-4364922-A ATRIOVENTRICULAR CONDUCTION BLOCK UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1982-12-21 US claimed
US-4273774-A 1,3-DIMETHYL-5-AMINOADMANTANE TOGETHER WITH CAFFEINE OR THEOPHYLLINE MERZ & CO. (DE) 1981-06-16 US claimed