SCHEMBL25812243

SCHEMBL25812243

Nc1ncnc2c1ncn2[C@@H]1S[C@@H]2C(OP(=O)(S)OC3[C@H](n4cnc5c(=O)n6cc[nH]c6nc54)O[C@H](CO)[C@H]3F)[C@]2(O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.44
▸ RNASEL Q05823 4/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SLC28A1 O00337 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ SLC28A2 O43868 1/20 0.37
▸ GAPDH P04406 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ DOT1L Q8TEK3 1/20 0.37

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
SCHEMBL23619346 0.86 ADORA1 (0.46) ADORA1RNASELNT5E
SCHEMBL23619399 0.84 P2RY1 (0.52) ADORA1RNASELSMN1; SMN2
SCHEMBL25816125 0.82 ADORA1 (0.43) ADORA1RNASELPI4KAPI4K2BPI4K2A
SCHEMBL23619355 0.81 ADORA1 (0.43) ADORA1RNASELNT5E
SCHEMBL23619226 0.80 ADORA1 (0.54) ADORA1RNASELNT5E
SCHEMBL25816144 0.79 ADORA1 (0.41) ADORA1RNASELNT5E
SCHEMBL23619323 0.78 NT5E (0.45) ADORA1RNASELSMN1; SMN2NT5E
SCHEMBL25816132 0.78 ADORA1 (0.39) ADORA1RNASELPI4KAPI4K2BPI4K2A
SCHEMBL25812128 0.77 ADORA1 (0.51) ADORA1RNASELEGFRERBB2DPP4
SCHEMBL23619432 0.75 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 33/4885RNASEL 591/4885EGFR 4227/4885

“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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