SCHEMBL16639886

SCHEMBL16639886

C#C[C@@]1(O)[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 1/20 0.41
▸ ADORA2A P29274 3/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ DNMT1 P26358 1/20 0.34
▸ DNMT3B Q9UBC3 1/20 0.34
▸ ADA P00813 1/20 0.32
▸ NT5E P21589 4/20 0.31

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
SCHEMBL16367946 0.90 AHCY (0.41) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16368046 0.89 AHCY (0.41) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL29722700 0.85 ADORA2A (0.49) AHCYADORA2AADORA2B
SCHEMBL16368187 0.85 ADORA2A (0.49) AHCYADORA2AADORA2B
SCHEMBL16368044 0.85 AHCY (0.43) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16367952 0.84 AHCY (0.45) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16640169 0.83 AHCY (0.43) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16368005 0.83 P2RY1 (0.40) —
SCHEMBL17357529 0.79 ADORA2A (0.50) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16368080 0.77 FAP (0.33) ADORA2AADORA2BDNMT1DNMT3BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 — — US disclosed
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2018-02-15 — — US disclosed
US-9862743-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-01-09 — — US disclosed
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — US disclosed
US-9603864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US disclosed
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 (7 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP AHCY 274/4885ADORA2A 78/4885ADORA2B 288/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B AHCY 263/4885ADORA2A 47/4885ADORA2B 72/4885
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 AHCY 443/4885ADORA2A 57/4885ADORA2B 113/4885
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP AHCY 274/4885ADORA2A 78/4885ADORA2B 288/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B AHCY 525/4885ADORA2A 71/4885ADORA2B 114/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 AHCY 443/4885ADORA2A 57/4885ADORA2B 113/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B AHCY 525/4885ADORA2A 71/4885ADORA2B 114/4885

“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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