SCHEMBL13468263

SCHEMBL13468263

CCOc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.58
ADORA3 P0DMS8 8/20 0.58
ADORA1 P30542 8/20 0.58
ADORA2B P29275 3/20 0.58
SLC29A1 Q99808 1/20 0.58

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
SCHEMBL13471113 0.91 SLC29A1 (0.59) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL27621467 0.87 SLC29A1 (0.66) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL6758863 0.86 SLC29A1 (0.61) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL6758859 0.86 SLC29A1 (0.61) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL11516417 0.85 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL11516427 0.85 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL19187118 0.84 PNP (0.52)
SCHEMBL34996 0.83 SLC29A1 (0.73) SLC29A1
SCHEMBL2218888 0.82 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2BSLC29A1
SCHEMBL13469564 0.81 ACHE (0.43) ADORA2AADORA3ADORA1ADORA2BSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696679-B1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
US-9156872-B2 2′-azido substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-9150603-B2 2′-cyano substituted nucleoside derivatives and methods of use thereof useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-06 US disclosed
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-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-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140161770-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-06-12 US disclosed
US-20140161770-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-06-12 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
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
WO-2012142075-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 WO disclosed
WO-2012142093-A2 2'-CYANO 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 (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-20140161770-A1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES HCCS, NSUN2, PNP ADORA2A 92/4885ADORA3 72/4885ADORA1 108/4885
US-20140154211-A1 2'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SLC29A2, SLC29A1, SLC28A2 ADORA2A 24/4885ADORA3 31/4885ADORA1 37/4885
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ADAR, SLC29A1, SLC28A1 ADORA2A 11/4885ADORA3 16/4885ADORA1 23/4885

“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.