SCHEMBL30324473

SCHEMBL30324473

CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.55
▸ ADORA3 P0DMS8 4/20 0.54
▸ DOT1L Q8TEK3 2/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ DPP4 P27487 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ SLC28A1 O00337 1/20 0.54
▸ MAP3K7 O43318 1/20 0.54
▸ SLC28A2 O43868 1/20 0.54
▸ GAPDH P04406 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ STAT6 P42226 1/20 0.54
▸ PI4KA P42356 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PI4K2B Q8TCG2 1/20 0.54
▸ SLC29A1 Q99808 1/20 0.54
▸ PI4K2A Q9BTU6 1/20 0.54
▸ SLC28A3 Q9HAS3 1/20 0.54

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
SCHEMBL30324459 0.94 ADORA3 (0.54) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL29884287 0.91 ADORA2A (0.44) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL30324445 0.88 ADORA1 (0.58) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL13743975 0.84 ADORA3 (0.67) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL3921701 0.84 ADORA3 (0.67) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL13715739 0.84 ADORA3 (0.67) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL28552404 0.83 SLC29A1 (0.51) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL16561357 0.80 ADORA3 (0.59) ADORA1ADORA3DOT1LADORA2ADPP4
SCHEMBL14896399 0.78 HINT1 (0.49) ADORA2A
SCHEMBL24371814 0.78 ADORA3 (0.71) ADORA1ADORA3DOT1LADORA2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12171777-B2 Methods of making a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-24 — — US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 — — US disclosed
CN-110325543-B Cyclic dinucleotides as STING (stimulator of interferon genes) agonists 武田药品工业株式会社 2023-03-31 — — CN 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 (2 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS ADORA1 446/4885ADORA3 579/4885DOT1L 1780/4885
US-12171777-B2 Methods of making a cyclic dinucleotide STING1, CGAS, MAVS ADORA1 516/4885ADORA3 636/4885DOT1L 3241/4885

“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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