SCHEMBL16368046

SCHEMBL16368046

C#C[C@@]1(F)[C@H](O)[C@](CO)(CF)O[C@H]1n1cnc2c(N)ccnc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.41
▸ ADORA2A P29274 2/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ DNMT1 P26358 1/20 0.36
▸ DNMT3B Q9UBC3 1/20 0.36
▸ ADA P00813 1/20 0.31
▸ EZH2 Q15910 1/20 0.30

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
SCHEMBL16639886 0.89 AHCY (0.41) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16376891 0.85 ADORA2A (0.47) AHCYADORA2AADORA2B
SCHEMBL16640169 0.85 AHCY (0.43) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16368044 0.83 AHCY (0.43) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16367946 0.79 AHCY (0.41) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL15070360 0.76 AHCY (0.46) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16367952 0.74 AHCY (0.45) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL18947526 0.74 AHCY (0.44) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16368187 0.74 ADORA2A (0.49) AHCYADORA2AADORA2B
SCHEMBL29722700 0.74 ADORA2A (0.49) AHCYADORA2AADORA2B

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-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — 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-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B AHCY 263/4885ADORA2A 47/4885ADORA2B 72/4885

“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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