SCHEMBL23619502

SCHEMBL23619502

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(S)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2ccc(=O)n3ccnc23)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 12/20 0.58
▸ ADORA1 P30542 2/20 0.58
▸ P2RY1 P47900 3/20 0.55
▸ DNPH1 O43598 1/20 0.55
▸ PRKAB2 O43741 1/20 0.55
▸ TRPM2 O94759 1/20 0.55
▸ LDHA P00338 1/20 0.55
▸ ADRB2 P07550 1/20 0.55
▸ FBP1 P09467 1/20 0.55
▸ SRC P12931 1/20 0.55
▸ P2RY2 P41231 1/20 0.55
▸ PRKAG1 P54619 1/20 0.55
▸ PRKAA2 P54646 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ PRKAA1 Q13131 1/20 0.55
▸ PDE3A Q14432 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TAS1R3 Q7RTX0 1/20 0.55
▸ TAS1R1 Q7RTX1 1/20 0.55

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
SCHEMBL24239194 1.00 RNASEL (0.58) RNASELADORA1P2RY1DNPH1PRKAB2
SCHEMBL25815460 0.94 ADORA1 (0.56) RNASELADORA1
SCHEMBL23619351 0.94 ADORA1 (0.56) RNASELADORA1
SCHEMBL23619228 0.90 ADORA1 (0.53) RNASELADORA1
SCHEMBL23619467 0.90 ADORA1 (0.53) RNASELADORA1
SCHEMBL25815530 0.90 ADORA1 (0.53) RNASELADORA1
SCHEMBL22326769 0.89 RNASEL (0.73) RNASELADORA1P2RY1DNPH1PRKAB2
SCHEMBL13020487 0.89 RNASEL (0.73) RNASELADORA1P2RY1DNPH1PRKAB2
SCHEMBL23619257 0.89 P2RY2 (0.42) P2RY2
SCHEMBL23619280 0.86 ADORA1 (0.54) RNASELADORA1P2RY1DNPH1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — 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 (1 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 RNASEL 547/4885ADORA1 34/4885P2RY1 30/4885

“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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