SCHEMBL13467907

SCHEMBL13467907

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.55
ADA P00813 1/20 0.48
ADORA2B P29275 4/20 0.48
CYP2C19 P33261 1/20 0.47
ADORA3 P0DMS8 3/20 0.46
ADORA1 P30542 3/20 0.46
SLC29A1 Q99808 3/20 0.44
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL15763428 1.00 ADORA2A (0.55) ADORA2AADAADORA2BCYP2C19ADORA3
SCHEMBL13468485 0.91 ADORA2A (0.54) ADORA2AADAADORA2BCYP2C19ADORA3
SCHEMBL15763449 0.91 ADORA2A (0.54) ADORA2AADAADORA2BCYP2C19ADORA3
SCHEMBL15888819 0.90 ADORA2A (0.53) ADORA2AADAADORA2BCYP2C19ADORA3
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL15628197 0.89 ADORA2A (0.66) ADORA2AADAADORA2BCYP2C19ADORA3
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12219172 0.89 ADORA2A (0.66) ADORA2AADAADORA2BCYP2C19ADORA3
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL721333 0.89 ADORA2A (0.66) ADORA2AADAADORA2BCYP2C19ADORA3
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL14816756 0.89 ADORA2A (0.66) ADORA2AADAADORA2BCYP2C19ADORA3
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12939406 0.89 ADORA2A (0.66) ADORA2AADAADORA2BCYP2C19ADORA3
Beta-2'-C-Methyl-6-O-Methyl Guanosine SCHEMBL12194676 0.89 ADORA2A (0.66) ADORA2AADAADORA2BCYP2C19ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061041-B2 2′-substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-20140154211-A1 2'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-06-05 US disclosed
WO-2012142085-A1 2'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 WO 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 (1 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-20140154211-A1 2'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SLC29A2, SLC29A1, SLC28A2 ADORA2A 24/4885ADA 19/4885ADORA2B 13/4885

“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.