SCHEMBL474664

SCHEMBL474664

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(Cl)c2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.65
ADORA3 P0DMS8 7/20 0.47
ADORA1 P30542 4/20 0.47
ADORA2B P29275 3/20 0.47
ADA P00813 1/20 0.45
DOT1L Q8TEK3 2/20 0.44
ADK P55263 1/20 0.44
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
S1PR4 O95977 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
ALOX15 P16050 1/20 0.43
METTL3 Q86U44 1/20 0.43

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
SCHEMBL3229703 0.89 ADORA2A (0.67) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL18200214 0.88 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL873435 0.88 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL14544819 0.88 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL474796 0.88 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL15241391 0.88 ADORA2A (0.66) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL14782098 0.88 ADORA2A (0.50) ADORA2ADOT1LADKNPC1GALR3
SCHEMBL24837545 0.87 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL15241432 0.87 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADK
SCHEMBL2786078 0.87 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476169-B1 Inhibiting orthopoxvirus replication with nucleoside compounds MERCK SHARP & DOHME (US) 2013-03-20 EP claimed
US-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 US claimed
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. 2007-11-29 US claimed
EP-1355916-B1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO INC (US) 2007-01-10 EP claimed
CN-1267446-C Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO INC (US) 2006-08-02 CN claimed
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN 2005-12-08 US claimed
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK SHARP & DOHME CORP. 2005-07-28 US claimed
US-6777395-B2 VIRICIDES MERCK & CO., INC. 2004-08-17 US claimed
CN-1498221-A Nucleoside derivatives as inhibitors of RNA-dependent PNA viral polymerase 2004-05-19 CN claimed
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN (US) 2004-04-15 US claimed
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2004-04-08 US claimed
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2002-10-10 US 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-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
US-20040014957-A1 Oligonucleotides having modified nucleoside units ISIS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
WO-2003100017-A2 OLIGONUCLEOTIDES HAVING MODIFIED NUCLEOSIDE UNITS ISIS PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
WO-2003068244-A1 METHODS OF INHIBITING ORTHOPOXVIRUS REPLICATION WITH NUCLEOSIDE COMPOUNDS MERCK & CO., INC. (US) 2003-08-21 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 (10 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 4584/4885ADORA3 4434/4885ADORA1 4354/4885
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADORA3 334/4885ADORA1 550/4885
US-20040014957-A1 Oligonucleotides having modified nucleoside units RNASE1, RNASEH1, RNASEL ADORA2A 813/4885ADORA3 464/4885ADORA1 539/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADORA3 334/4885ADORA1 550/4885
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADORA3 334/4885ADORA1 550/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADORA3 334/4885ADORA1 550/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885ADORA3 4434/4885ADORA1 4354/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ADORA2A 4584/4885ADORA3 4434/4885ADORA1 4354/4885
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADORA3 334/4885ADORA1 550/4885
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds ITPA, PNP, NUDT1 ADORA2A 192/4885ADORA3 225/4885ADORA1 238/4885

“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.