SCHEMBL16644536

SCHEMBL16644536

C[C@@]1(F)[C@H](O)[C@](CO)(CF)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.54
▸ AHCY P23526 5/20 0.48
▸ PI4K2A Q9BTU6 3/20 0.48
▸ PI4KA P42356 2/20 0.48
▸ PI4K2B Q8TCG2 2/20 0.48
▸ PI4KB Q9UBF8 2/20 0.48
▸ ADORA3 P0DMS8 6/20 0.46
▸ SLC28A1 O00337 2/20 0.45
▸ SLC28A2 O43868 2/20 0.45
▸ DPP4 P27487 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAP3K7 O43318 1/20 0.45
▸ GAPDH P04406 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ STAT6 P42226 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DOT1L Q8TEK3 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
SCHEMBL25577337 0.91 ADORA2A (0.55) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL23171267 0.90 ADORA2A (0.60) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL16368295 0.90 ADORA2A (0.60) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL19859736 0.86 ADORA2A (0.57) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL17359768 0.86 AHCY (0.48) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL16376891 0.85 ADORA2A (0.47) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL16640169 0.84 AHCY (0.43) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL16368187 0.83 ADORA2A (0.49) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL29722700 0.83 ADORA2A (0.49) ADORA2AAHCYPI4K2API4KAPI4K2B
SCHEMBL18877330 0.79 ADORA3 (0.49) ADORA3

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-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-04-16 — — 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-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 ADORA2A 57/4885AHCY 443/4885PI4K2A 1762/4885

“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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