SCHEMBL16640169

SCHEMBL16640169

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.43
▸ ADORA2A P29274 4/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ DNMT1 P26358 1/20 0.35
▸ DNMT3B Q9UBC3 1/20 0.35
▸ ADA P00813 2/20 0.34
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32

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
SCHEMBL16368044 0.90 AHCY (0.43) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL17358613 0.87 AHCY (0.40) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16368046 0.85 AHCY (0.41) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16644536 0.84 ADORA2A (0.54) AHCYADORA2AADORA2BPI4KAPI4K2B
SCHEMBL16639886 0.83 AHCY (0.41) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL18877330 0.79 ADORA3 (0.49) ADORA3
SCHEMBL15070360 0.78 AHCY (0.46) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL17357699 0.77 FAP (0.38) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL18875013 0.75 ADORA3 (0.38) ADORA2AADORA3
SCHEMBL25577337 0.75 ADORA2A (0.55) AHCYADORA2AADORA2BPI4KAPI4K2B

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 AHCY 443/4885ADORA2A 57/4885ADORA2B 113/4885

“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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