SCHEMBL18510391

SCHEMBL18510391

CC(C)n1c(F)nc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.67
▸ ADORA1 P30542 13/20 0.67
▸ ADORA2B P29275 10/20 0.67
▸ ADORA3 P0DMS8 5/20 0.67
▸ PI4KA P42356 4/20 0.50
▸ PI4K2B Q8TCG2 4/20 0.50
▸ PI4K2A Q9BTU6 4/20 0.50
▸ PI4KB Q9UBF8 4/20 0.50
▸ HSP90B1 P14625 3/20 0.41
▸ FBP1 P09467 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
SCHEMBL22381523 0.89 ADORA2A (0.56) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22571151 0.84 ADORA2A (0.70) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL16707341 0.78 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18520815 0.77 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18510346 0.75 ADORA3 (0.39) ADORA2AADORA1ADORA2BADORA3
SCHEMBL22326770 0.75 ADORA2A (0.47) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL4054756 0.74 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22571152 0.73 PI4KA (0.50) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL18526490 0.73 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL22326710 0.73 ADORA2A (0.46) ADORA2AADORA1ADORA2BADORA3PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
US-11840551-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-12-12 — — US disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 — — US disclosed
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-10-03 — — US disclosed
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2023-10-03 — — US disclosed
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2023-10-03 — — US disclosed
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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
WO-2020117623-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO disclosed
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO disclosed
WO-2020117624-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — US disclosed
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 — — US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 — — US disclosed
WO-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
WO-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — US disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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 (9 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ADORA2A 385/4885ADORA1 446/4885ADORA2B 827/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS ADORA2A 317/4885ADORA1 407/4885ADORA2B 621/4885
US-11840551-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA ADORA2A 368/4885ADORA1 344/4885ADORA2B 686/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA2A 228/4885ADORA1 314/4885ADORA2B 1162/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA2A 73/4885ADORA1 32/4885ADORA2B 144/4885
US-11773132-B2 Cyclic di-nucleotides as stimulator of interferon genes modulators STING1, IRF3, CGAS ADORA2A 216/4885ADORA1 884/4885ADORA2B 859/4885
US-11773131-B2 Compositions and methods of modulating the immune response by activating alpha protein kinase 1 PHKA1, PHKA2, PRKCA ADORA2A 368/4885ADORA1 344/4885ADORA2B 686/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS ADORA2A 900/4885ADORA1 1640/4885ADORA2B 2261/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA2A 69/4885ADORA1 33/4885ADORA2B 147/4885

“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.

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