SCHEMBL6430725

SCHEMBL6430725

Cn1cc(F)c2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 12/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 3/20 0.42
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MET P08581 1/20 0.40
AXL P30530 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19684528 0.79 EIF2AK3 (0.34) EIF2AK3ADORA2AADORA1
SCHEMBL463027 0.79 ADK (0.48) EIF2AK3ADORA2AADORA1DYRK1ALRRK2
SCHEMBL21137411 0.79 RIPK2 (0.39) ADORA2AADORA1DYRK1ALRRK2PI4KA
SCHEMBL20778080 0.78 ADORA2A (0.53) ADORA2AADORA1DYRK1ALRRK2PI4KA
SCHEMBL20351797 0.78 EIF2AK3 (0.48) EIF2AK3METAXL
SCHEMBL13192053 0.78 ADORA2A (0.46) EIF2AK3ADORA2AADORA1DYRK1ALRRK2
SCHEMBL1585102 0.78 ADK (0.49) ADORA2AADORA1DYRK1ALRRK2PI4KA
SCHEMBL18055946 0.78 DYRK1A (0.39) ADORA2AADORA1DYRK1ALRRK2PI4KA
SCHEMBL869181 0.78 ADK (0.49) EIF2AK3ADORA2AADORA1DYRK1ALRRK2
SCHEMBL23786518 0.77 KDM4E (0.40) ADORA2AADORA1DYRK1ALRRK2PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 EP disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20230149560-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2021-11-04 US disclosed
WO-2021216572-A1 LIPID COMPOSITIONS FOR DELIVERY OF STING AGONIST COMPOUNDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 WO disclosed
EP-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 US disclosed
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-07-02 US disclosed
US-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 US disclosed
US-20140235567-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-08-21 US disclosed
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 US disclosed
US-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-03-06 US disclosed
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2012-10-11 US disclosed
US-8173621-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2012-05-08 US disclosed
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2012-02-16 US disclosed
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2010-04-01 US disclosed
WO-2007027248-A2 3', 5' - CYCLIC NUCLEOSIDE ANALOGUES FOR TREATMENT OF HCV VALEANT RESEARCH & DEVELOPMENT (US) 2007-03-08 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 (12 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 EIF2AK3 4075/4885ADORA2A 2409/4885ADORA1 2287/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS EIF2AK3 4035/4885ADORA2A 385/4885ADORA1 446/4885
US-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP EIF2AK3 3514/4885ADORA2A 84/4885ADORA1 206/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 EIF2AK3 1095/4885ADORA2A 70/4885ADORA1 34/4885
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP EIF2AK3 3514/4885ADORA2A 84/4885ADORA1 206/4885
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP EIF2AK3 2771/4885ADORA2A 102/4885ADORA1 163/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS EIF2AK3 4035/4885ADORA2A 385/4885ADORA1 446/4885
US-20140235567-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NT5C3B, PNP, SLC29A1 EIF2AK3 1337/4885ADORA2A 41/4885ADORA1 59/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP EIF2AK3 2771/4885ADORA2A 102/4885ADORA1 163/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 EIF2AK3 1120/4885ADORA2A 69/4885ADORA1 33/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR EIF2AK3 4493/4885ADORA2A 11/4885ADORA1 27/4885
US-20210340169-A1 CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF STING1, CGAS, TLR9 EIF2AK3 2775/4885ADORA2A 354/4885ADORA1 257/4885

“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.