SCHEMBL16367937

SCHEMBL16367937

[N-]=[N+]=NC[C@]1(CO)O[C@@H](n2cnc3c(N)ccnc32)[C@H](F)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ ADORA2B P29275 2/20 0.41
▸ DNMT1 P26358 1/20 0.38
▸ DNMT3B Q9UBC3 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CD99 P14209 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ EZH2 Q15910 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ SLC28A1 O00337 1/20 0.32
▸ MAP3K7 O43318 1/20 0.32
▸ SLC28A2 O43868 1/20 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
SCHEMBL16374027 0.86 AHCY (0.56) AHCYADORA2AADORA2BALDH1A1HIF1A
SCHEMBL16373932 0.86 AHCY (0.56) AHCYADORA2AADORA2BALDH1A1HIF1A
SCHEMBL16375327 0.86 AHCY (0.46) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL15070360 0.86 AHCY (0.46) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL15070300 0.85 ADORA2A (0.48) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL15070288 0.85 AHCY (0.45) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16367965 0.83 P2RX3 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL26311386 0.82 AHCY (0.45) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL16373907 0.81 ADORA3 (0.47) ADORA3PDE3A
SCHEMBL17358613 0.80 AHCY (0.40) AHCYADORA2AADORA2BDNMT1DNMT3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194793-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2018-07-12 — — US disclosed
US-9932363-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-04-03 — — US disclosed
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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 — — US disclosed
US-9603863-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-9603864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-20160318967-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2016-11-03 — — US disclosed
US-9422322-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2016-08-23 — — 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
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 — — US disclosed
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV 2015-01-01 — — 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 (11 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
US-20180194793-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 AHCY 445/4885ADORA2A 51/4885ADORA2B 92/4885
US-20160318967-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 AHCY 445/4885ADORA2A 51/4885ADORA2B 92/4885
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 AHCY 445/4885ADORA2A 51/4885ADORA2B 92/4885
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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