SCHEMBL22033791

SCHEMBL22033791

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.55
▸ P2RY12 Q9H244 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.45
▸ ADORA1 P30542 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 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
SCHEMBL22034224 1.00 TYMP (0.55) TYMPP2RY12PRKAG1PRKAA1PRKAB1
SCHEMBL6404792 0.93 TYMP (0.53) TYMPP2RY12PRKAG1PRKAA1PRKAB1
SCHEMBL7708120 0.92 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6513309 0.92 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30091055 0.92 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL23650062 0.92 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30396368 0.92 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL21305068 0.91 TYMP (0.55) TYMPP2RY12PRMT6ADORA1ADORA2A
SCHEMBL6396836 0.91 TYMP (0.55) TYMPP2RY12PRMT6ADORA1ADORA2A
SCHEMBL19493438 0.91 TYMP (0.55) TYMPP2RY12PRMT6ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-01-27 — — US disclosed
EP-3891165-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2021-10-13 — — EP disclosed
EP-3891166-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2021-10-13 — — EP disclosed
EP-3891164-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2021-10-13 — — EP disclosed
WO-2020117624-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
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 — — 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 (3 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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 TYMP 1904/4885P2RY12 320/4885PRKAG1 486/4885
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 TYMP 2010/4885P2RY12 324/4885PRKAG1 508/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 TYMP 2032/4885P2RY12 326/4885PRKAG1 510/4885

“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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