SCHEMBL18490487

SCHEMBL18490487

O=C(Nc1ncnc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 6/20 0.45
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SLC29A1 Q99808 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL18510803 0.92 BMPR1B (0.39) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL24687189 0.92 ADORA1 (0.50) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL6421558 0.92 ADORA1 (0.50) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL18490581 0.87 ADORA1 (0.37) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL18490585 0.87 ADK (0.38) ADORA1ADORA3ADORA2AADORA2BLMNA
Pyridine SCHEMBL29882433 0.86 ADORA1 (0.37) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL314050 0.84 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL21625242 0.84 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL21063207 0.84 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL9294393 0.84 LMNA (0.60) ADORA1ADORA3ADORA2AADORA2BLMNA

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 30 patents — showing the first 20. 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-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
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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-01-27 — — US disclosed
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO disclosed
WO-2020117623-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — WO 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 (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-10106574-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA3 110/4885ADORA2A 73/4885
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA3 84/4885ADORA2A 64/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA3 110/4885ADORA2A 73/4885
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 ADORA1 31/4885ADORA3 87/4885ADORA2A 64/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA3 110/4885ADORA2A 73/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA3 110/4885ADORA2A 73/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA3 94/4885ADORA2A 65/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA1 32/4885ADORA3 110/4885ADORA2A 73/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA1 33/4885ADORA3 117/4885ADORA2A 69/4885

“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.

Send feedback