SCHEMBL13394191

SCHEMBL13394191

Nc1ncnc2c1ncn2CC(O)CCO

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 11/20 0.79
▸ ADORA2A P29274 6/20 0.79
▸ ADORA1 P30542 4/20 0.68
▸ ALDH1A1 P00352 1/20 0.63
▸ PI4KA P42356 2/20 0.55
▸ PI4K2B Q8TCG2 2/20 0.55
▸ PI4K2A Q9BTU6 2/20 0.55
▸ PI4KB Q9UBF8 2/20 0.55
▸ ADORA2B P29275 1/20 0.52

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
SCHEMBL16603993 0.90 AHCY (0.85) AHCYADORA2AADORA1ALDH1A1PI4KA
(S)-Dhpa SCHEMBL936286 0.88 AHCY (1.00) AHCYADORA2AADORA1ALDH1A1PI4KA
(S)-Dhpa SCHEMBL936287 0.88 AHCY (1.00) AHCYADORA2AADORA1ALDH1A1PI4KA
(S)-Dhpa SCHEMBL28605202 0.88 AHCY (1.00) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL11487766 0.87 ADORA2A (0.71) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL13394190 0.87 ADORA2A (0.72) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL28068456 0.85 AHCY (0.78) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL8839648 0.84 AHCY (0.68) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL14963614 0.84 ADORA2A (0.76) AHCYADORA2AADORA1ALDH1A1PI4KA
SCHEMBL13394189 0.84 ADORA2A (0.76) AHCYADORA2AADORA1ALDH1A1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884011-B2 Nucleotide analogues as precursor molecules for antivirals CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-11-11 — — US disclosed
US-8884011-B2 Nucleotide analogues as precursor molecules for antivirals CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-11-11 — — US disclosed
US-20100099869-A1 NOVEL NUCLEOTIDE ANALOGUES AS PRECUSOR MOLECULES FOR ANTIVIRALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2010-04-22 — — US disclosed
US-20100099869-A1 NOVEL NUCLEOTIDE ANALOGUES AS PRECUSOR MOLECULES FOR ANTIVIRALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2010-04-22 — — 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-20100099869-A1 NOVEL NUCLEOTIDE ANALOGUES AS PRECUSOR MOLECULES FOR ANTIVIRALS NUDT1, P2RY1, HPRT1 AHCY 203/4885ADORA2A 79/4885ADORA1 33/4885

“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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