SCHEMBL769467

SCHEMBL769467

COc1nc(N)nc2c1ncn2[C@]1(O)O[C@H](CO)[C@@H](O)[C@@]1(C)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ADORA2A P29274 4/20 0.38
CYP2C19 P33261 1/20 0.37
ADORA2B P29275 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
MGMT P16455 2/20 0.36
SLC29A1 Q99808 5/20 0.35
ADA P00813 1/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 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
SCHEMBL769466 1.00 HSP90AA1 (0.39) HSP90AA1HSP90AB1ADORA2ACYP2C19ADORA2B
SCHEMBL28389019 0.82 CYP2C19 (0.40) HSP90AA1HSP90AB1ADORA2ACYP2C19ADORA2B
SCHEMBL6829141 0.76 ADORA2A (0.45) ADORA2ACYP2C19ADORA2BADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL14816756 0.76 ADORA2A (0.66) ADORA2ACYP2C19ADORA2BADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12939406 0.76 ADORA2A (0.66) ADORA2ACYP2C19ADORA2BADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL14762374 0.76 ADORA2A (0.66) ADORA2ACYP2C19ADORA2BADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12219172 0.76 ADORA2A (0.66) ADORA2ACYP2C19ADORA2BADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL15628197 0.76 ADORA2A (0.66) ADORA2ACYP2C19ADORA2BADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12194676 0.76 ADORA2A (0.66) ADORA2ACYP2C19ADORA2BADORA3ADORA1
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL19493379 0.76 ADORA2A (0.66) ADORA2ACYP2C19ADORA2BADORA3ADORA1

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-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 US disclosed
US-20120071434-A1 SUBSTITUTED 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 (2 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-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP HSP90AA1 1337/4885HSP90AB1 1489/4885ADORA2A 252/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP HSP90AA1 1337/4885HSP90AB1 1489/4885ADORA2A 252/4885

“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.