SCHEMBL18490626

SCHEMBL18490626

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C(F)(F)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.52
▸ STING1 Q86WV6 4/20 0.52
▸ PDE3B Q13370 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ HPGD P15428 2/20 0.50
▸ HINT1 P49773 1/20 0.50
▸ NT5E P21589 1/20 0.50
▸ PNP P00491 1/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ RPS6KA3 P51812 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL3734057 0.91 ADORA3 (0.51) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL7101375 0.88 ADORA3 (0.53) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL29908542 0.87 ADORA3 (0.52) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL1374868 0.86 HINT1 (0.52) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL12151803 0.86 HINT1 (0.52) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL12758342 0.86 HINT1 (0.52) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL3427138 0.85 ADORA3 (0.50) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL28911222 0.85 HPGD (0.54) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL3437184 0.84 NT5E (0.51) ADORA3STING1PDE3BPDE3AHPGD
SCHEMBL29771263 0.84 HINT1 (0.51) ADORA3STING1PDE3BPDE3AHPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 — — EP disclosed
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-09-27 — — US disclosed
CN-108137641-B Cyclic dinucleotide compounds as sting agonists 默沙东公司 2022-04-01 — — CN disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — US disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-10106574-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 — — US disclosed
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-30 — — US disclosed
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-23 — — US disclosed
EP-3334745-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2018-06-20 — — EP disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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
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 (7 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-10106574-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA3 110/4885STING1 1/4885PDE3B 237/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA3 110/4885STING1 1/4885PDE3B 237/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA3 110/4885STING1 1/4885PDE3B 237/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA3 110/4885STING1 1/4885PDE3B 237/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA3 110/4885STING1 1/4885PDE3B 237/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA3 110/4885STING1 1/4885PDE3B 237/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ADORA3 110/4885STING1 1/4885PDE3B 237/4885

“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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