SCHEMBL474849

SCHEMBL474849

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.80
ADA P00813 1/20 0.69
ADORA3 P0DMS8 8/20 0.56
ADORA1 P30542 6/20 0.56
ADORA2B P29275 4/20 0.56
ALOX15 P16050 1/20 0.56
AHCY P23526 1/20 0.50
CYP2C19 P33261 1/20 0.49

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
SCHEMBL14589609 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL15908433 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL10169502 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL873738 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL10137892 1.00 ADORA2A (0.80) ADORA2AADAADORA3ADORA1ADORA2B
2'-B-Methyl-Guanosine SCHEMBL11888942 0.90 ADORA2A (0.69) ADORA2AADAADORA3ADORA1ADORA2B
2'-B-Methyl-Guanosine SCHEMBL939849 0.90 ADORA2A (0.69) ADORA2AADAADORA3ADORA1ADORA2B
2'-B-Methyl-Guanosine SCHEMBL10316549 0.90 ADORA2A (0.69) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL29848577 0.90 ADORA2A (0.78) ADORA2AADAADORA3ADORA1ADORA2B
SCHEMBL28952403 0.90 ADORA2A (0.78) ADORA2AADAADORA3ADORA1ADORA2B

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 239 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539276-B2 Compositions and methods for treating viral infections SPRING BANK PHARMACEUTICALS, INC. (US) 2017-01-10 US claimed
US-20160038527-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS SPRING BANK PHARMACEUTICALS, INC. 2016-02-11 US claimed
US-20140356325-A1 NOVEL 2'-C-METHYL NUCLEOSIDE DERIVATIVE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-12-04 US claimed
WO-2013106344-A1 2 '-C-METHYL NUCLEOSIDES CONTAINING A CYCLIC PHOSPHATE DIESTER OF 1, 3-PROPANEDIOL (2-OXO-[1, 3, 2]-DIOXAPHOSPHORINANE) AT POSITION 5' LIGAND PHARMACEUTICALS, INC. (US) 2013-07-18 WO claimed
EP-1476169-A4 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO INC (US) 2009-06-03 EP claimed
US-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 US claimed
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK SHARP & DOHME CORP. 2005-07-28 US claimed
EP-1476169-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS Merck & Co., Inc. (US) 2004-11-17 EP claimed
WO-2003068244-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO., INC. (US) 2003-08-21 WO claimed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
EP-2399588-B1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK SHARP & DOHME (US) 2020-04-29 EP disclosed
EP-2953461-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-22 EP disclosed
WO-2004009020-A2 PYRROLOPYRIMIDINE THIONUCLEOSIDE ANALOGS AS ANTIVIRALS MERCK & CO., INC. (US) 2004-01-29 WO disclosed
WO-2004007512-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2004-01-22 WO disclosed
WO-2004000858-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2003-12-31 WO disclosed
WO-2003068244-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO., INC. (US) 2003-08-21 WO disclosed
WO-2003020222-A2 PYRROLO[2,3-d]PYRIMIDINES FOR INHIBITING RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2003-03-13 WO disclosed
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2002-10-10 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 (7 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885ADA 3528/4885ADORA3 4434/4885
US-20160038527-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS SLC10A1, HAVCR2, CYP3A43 ADORA2A 3495/4885ADA 1286/4885ADORA3 2107/4885
US-20140356325-A1 NOVEL 2'-C-METHYL NUCLEOSIDE DERIVATIVE COMPOUNDS MTAP, NT5C3B, PNP ADORA2A 93/4885ADA 21/4885ADORA3 196/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885ADORA3 334/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885ADA 3528/4885ADORA3 4434/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885ADA 3528/4885ADORA3 4434/4885
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds ITPA, PNP, NUDT1 ADORA2A 192/4885ADA 43/4885ADORA3 225/4885

“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.