SCHEMBL25816132

SCHEMBL25816132

C#C[C@]1(COP(=O)(S)O[C@@H]2[C@H](F)[C@@H](CO)O[C@H]2n2cnc3c(=O)n4cc[nH]c4nc32)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2O[C@](C)(O)[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.39
▸ PI4KA P42356 1/20 0.38
▸ PI4K2B Q8TCG2 1/20 0.38
▸ PI4K2A Q9BTU6 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ RNASEL Q05823 6/20 0.37
▸ P2RX1 P51575 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ NT5E P21589 1/20 0.34

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
SCHEMBL25816144 0.90 ADORA1 (0.41) ADORA1RNASELNT5E
SCHEMBL25816125 0.84 ADORA1 (0.43) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL23619355 0.84 ADORA1 (0.43) ADORA1RNASELNT5E
SCHEMBL23619399 0.81 P2RY1 (0.52) ADORA1RNASELP2RX1P2RX3P2RX4
SCHEMBL23619346 0.79 ADORA1 (0.46) ADORA1RNASELNT5E
SCHEMBL25812243 0.78 ADORA1 (0.44) ADORA1PI4KAPI4K2BPI4K2API4KB
SCHEMBL23619226 0.78 ADORA1 (0.54) ADORA1RNASELNT5E
SCHEMBL23619323 0.76 NT5E (0.45) ADORA1RNASELNT5E
SCHEMBL18522154 0.74 ADORA1 (0.44) ADORA1
SCHEMBL23619432 0.73 ADORA1 (0.48) ADORA1RNASEL

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — 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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA1 33/4885PI4KA 2362/4885PI4K2B 1947/4885

“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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