SCHEMBL18490376

SCHEMBL18490376

Nc1ncnc2c([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)n[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 0.53
▸ P2RX1 P51575 2/20 0.53
▸ P2RX3 P56373 2/20 0.53
▸ P2RX2 Q9UBL9 2/20 0.53
▸ P2RY2 P41231 3/20 0.52
▸ SRC P12931 1/20 0.52
▸ P2RX4 Q99571 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ RNASEL Q05823 1/20 0.51
▸ P2RY4 P51582 1/20 0.51
▸ ENTPD1 P49961 1/20 0.50
▸ MACROD2 A1Z1Q3 1/20 0.49
▸ SIRT6 Q8N6T7 1/20 0.49
▸ MACROD1 Q9BQ69 1/20 0.49
▸ TRPM2 O94759 1/20 0.49

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
SCHEMBL29881649 1.00 P2RY1 (0.53) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL10053225 1.00 P2RY1 (0.53) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL10021598 1.00 P2RY1 (0.53) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL22381837 0.85 P2RX3 (0.45) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL22381736 0.85 P2RX3 (0.47) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL29420237 0.85 P2RX1 (0.55) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL18510879 0.84 P2RY2 (0.54) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL18520980 0.84 P2RX3 (0.46) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL18490388 0.84 P2RX3 (0.46) P2RY1P2RX1P2RX3P2RX2P2RY2
SCHEMBL4920635 0.83 P2RX3 (0.57) P2RY1P2RX1P2RX3P2RX2P2RY2

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 13 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
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

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 P2RY1 34/4885P2RX1 45/4885P2RX3 127/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 P2RY1 34/4885P2RX1 45/4885P2RX3 127/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 P2RY1 34/4885P2RX1 45/4885P2RX3 127/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 P2RY1 34/4885P2RX1 45/4885P2RX3 127/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 P2RY1 34/4885P2RX1 45/4885P2RX3 127/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 P2RY1 34/4885P2RX1 45/4885P2RX3 127/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 P2RY1 34/4885P2RX1 45/4885P2RX3 127/4885

“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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