SCHEMBL15070300

SCHEMBL15070300

CC[C@]1(CO)O[C@@H](n2cnc3c(N)ccnc32)[C@H](F)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.48
▸ ADORA2B P29275 2/20 0.48
▸ AHCY P23526 3/20 0.45
▸ DNMT1 P26358 1/20 0.40
▸ DNMT3B Q9UBC3 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ PI4KA P42356 2/20 0.35
▸ PI4K2B Q8TCG2 2/20 0.35
▸ PI4K2A Q9BTU6 2/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ ADA P00813 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SLC28A1 O00337 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34

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
SCHEMBL15070360 0.90 AHCY (0.46) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL16375327 0.90 AHCY (0.46) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL15070288 0.89 AHCY (0.45) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL16367937 0.85 AHCY (0.41) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL15070706 0.84 ADORA3 (0.52) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL31652878 0.84 ADORA3 (0.52) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL18947543 0.82 ADORA2A (0.49) ADORA2AADORA2BAHCYDNMT1DNMT3B
SCHEMBL15070351 0.81 P2RX3 (0.43) ADORA2AADORA2BSMN1; SMN2
SCHEMBL16573481 0.81 HSP90B1 (0.48) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL25394467 0.80 NT5E (0.55) ADORA2AADORA2BAHCYDNMT1DNMT3B

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 9 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-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2016-11-17 — — US disclosed
US-9441007-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2016-09-13 — — US disclosed
US-20150315228-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2015-11-05 — — US disclosed
US-9073960-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2015-07-07 — — US disclosed
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2015-02-19 — — US disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — US disclosed
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2013-06-27 — — 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 (6 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-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA2A 58/4885ADORA2B 93/4885AHCY 575/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA2A 47/4885ADORA2B 72/4885AHCY 263/4885
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA2A 58/4885ADORA2B 93/4885AHCY 575/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA2A 58/4885ADORA2B 93/4885AHCY 575/4885
US-20150315228-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA2A 58/4885ADORA2B 93/4885AHCY 575/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA2A 47/4885ADORA2B 72/4885AHCY 263/4885

“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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