SCHEMBL784361

SCHEMBL784361

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CI)[C@@H](O)[C@H]1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.65
NADK O95544 1/20 0.65
NT5E P21589 2/20 0.64
ADORA3 P0DMS8 4/20 0.64
ADORA2A P29274 2/20 0.64
ADORA1 P30542 2/20 0.64
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
MAPK1 P28482 1/20 0.64
ADORA2B P29275 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
DOT1L Q8TEK3 1/20 0.64

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
2'-Beta-Fluoro-2',3'-Deoxyadenosine SCHEMBL13974294 0.89 ADORA3 (0.80) AHCYNADKNT5EADORA3ADORA2A
2'-Beta-Fluoro-2',3'-Deoxyadenosine SCHEMBL383029 0.89 ADORA3 (0.80) AHCYNADKNT5EADORA3ADORA2A
2'-Beta-Fluoro-2',3'-Deoxyadenosine SCHEMBL21081903 0.89 ADORA3 (0.80) AHCYNADKNT5EADORA3ADORA2A
SCHEMBL4384003 0.89 NT5E (0.66) AHCYNADKNT5EADORA3ADORA2A
2'-Beta-Fluoro-2',3'-Deoxyadenosine SCHEMBL237405 0.89 ADORA3 (0.80) AHCYNADKNT5EADORA3ADORA2A
SCHEMBL4383999 0.89 NT5E (0.66) AHCYNADKNT5EADORA3ADORA2A
2'-Beta-Fluoro-2',3'-Deoxyadenosine SCHEMBL1389499 0.89 ADORA3 (0.80) AHCYNADKNT5EADORA3ADORA2A
2'-Beta-Fluoro-2',3'-Deoxyadenosine SCHEMBL12031122 0.89 ADORA3 (0.80) AHCYNADKNT5EADORA3ADORA2A
2'-Beta-Fluoro-2',3'-Deoxyadenosine SCHEMBL237404 0.89 ADORA3 (0.80) AHCYNADKNT5EADORA3ADORA2A
2'-Beta-Fluoro-2',3'-Deoxyadenosine SCHEMBL20434791 0.89 ADORA3 (0.80) AHCYNADKNT5EADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 US disclosed
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 US disclosed
US-9346848-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-05-24 US disclosed
US-9346848-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-05-24 US disclosed
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-07-02 US disclosed
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-07-02 US disclosed
US-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 US disclosed
US-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 US disclosed
WO-2012040124-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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 (3 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-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR AHCY 370/4885NADK 93/4885NT5E 15/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR AHCY 370/4885NADK 93/4885NT5E 15/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR AHCY 370/4885NADK 93/4885NT5E 15/4885

“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.