SCHEMBL763189

SCHEMBL763189

Cn1nnc2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.53
ADORA1 P30542 10/20 0.53
TP53 P04637 3/20 0.49
ADORA2B P29275 6/20 0.49
PI4KA P42356 5/20 0.47
PI4K2B Q8TCG2 5/20 0.47
PI4K2A Q9BTU6 5/20 0.47
PI4KB Q9UBF8 5/20 0.47
MAPT P10636 5/20 0.46
ADORA3 P0DMS8 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL21128128 0.78 ADORA2A (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4928331 0.76 TP53 (0.49) ADORA2AADORA1TP53PI4KAPI4K2B
SCHEMBL13851102 0.76 ADORA2A (0.53) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21942687 0.76 ADORA2A (0.44) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL13850512 0.76 PI4KA (0.53) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL754966 0.76 ADORA2A (0.53) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL23185942 0.74 ADORA2A (0.47) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21504439 0.73 PDE8B (0.52) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24453637 0.73 ADORA2A (0.42) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL21759036 0.73 PDE8B (0.46) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 US disclosed
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
EP-4242212-A2 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2023-09-13 EP disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS BEONE MEDICINES I GMBH (CH) 2022-08-11 US disclosed
WO-2022127914-A1 NUCLEOSIDE-THIODIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-23 WO disclosed
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 US disclosed
US-20220160746-A1 3'3'-CYCLIC DINUCLEOTIDE ANALOGUE COMPRISING A CYCLOPENTANYL MODIFIED NUCLEOTIDE AS STING MODULATOR INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I (CZ) 2022-05-26 US disclosed
US-20220152078-A1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2022-05-19 US disclosed
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 US disclosed
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 US disclosed
EP-2174936-A1 PNA monomer and precursor Panagene, Inc. (KR) 2010-04-14 EP disclosed
US-20100016252-A1 Mannich Base N-Oxide Drugs State of Oregon Acting By and Through The Oregon State Board of Higher Education On Behalf of The U (US) 2010-01-21 US disclosed
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 EP disclosed
EP-1470114-B1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2009-08-19 EP disclosed
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US 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 (11 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-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF STING1, CGAS, TLR9 ADORA2A 2409/4885ADORA1 2287/4885TP53 768/4885
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885TP53 1147/4885
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 ADORA2A 64/4885ADORA1 32/4885TP53 4380/4885
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator STING1, MAVS, CGAS ADORA2A 660/4885ADORA1 1854/4885TP53 1360/4885
US-20220160746-A1 3'3'-CYCLIC DINUCLEOTIDE ANALOGUE COMPRISING A CYCLOPENTANYL MODIFIED NUCLEOTIDE AS STING MODULATOR STING1, MAVS, CGAS ADORA2A 652/4885ADORA1 1736/4885TP53 1283/4885
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 ADORA2A 545/4885ADORA1 199/4885TP53 3653/4885
US-20220152078-A1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF STING1, CGAS, NT5C2 ADORA2A 121/4885ADORA1 184/4885TP53 385/4885
US-20220251135-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, MAVS ADORA2A 122/4885ADORA1 209/4885TP53 482/4885
US-20100016252-A1 Mannich Base N-Oxide Drugs ASAH2, MAN2B1, NNT ADORA2A 472/4885ADORA1 625/4885TP53 3970/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 ADORA2A 177/4885ADORA1 266/4885TP53 141/4885
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 ADORA2A 237/4885ADORA1 217/4885TP53 430/4885

“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.