SCHEMBL20435041

SCHEMBL20435041

COC(=O)CNC(=O)NCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C2OC(C)(C)OC12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.48
▸ SLC29A1 Q99808 5/20 0.47
▸ PI4KA P42356 1/20 0.45
▸ PI4K2B Q8TCG2 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45

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
SCHEMBL20435001 1.00 ADORA3 (0.48) ADORA3SLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL26292114 0.92 ADORA3 (0.45) ADORA3SLC29A1
SCHEMBL20435013 0.92 ADORA3 (0.45) ADORA3SLC29A1
SCHEMBL20435000 0.92 ADORA3 (0.45) ADORA3SLC29A1
SCHEMBL24505768 0.84 ADORA2B (0.49) ADORA3SLC29A1
SCHEMBL20434988 0.83 PI4KA (0.64) ADORA3SLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL20434974 0.83 PI4KA (0.64) ADORA3SLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL20434987 0.79 ADORA3 (0.62) ADORA3SLC29A1
SCHEMBL26292120 0.79 ADORA3 (0.62) ADORA3SLC29A1
SCHEMBL20435018 0.79 ADORA3 (0.62) ADORA3SLC29A1

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-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ACADEMIA SINICA (TW) 2023-09-12 — — US disclosed
EP-3573996-B1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2022-06-15 — — EP disclosed
WO-2018140734-A1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2018-08-02 — — 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 (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-11753432-B2 Compound with analgesic effect for use in prevention and treatment of pain ADORA2B, ADORA1, ADORA3 ADORA3 3/4885SLC29A1 347/4885PI4KA 3007/4885

“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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