SCHEMBL733121

SCHEMBL733121

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(NC3CC3)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.66
▸ ADORA1 P30542 7/20 0.66
▸ ADORA2A P29274 6/20 0.66
▸ ADORA2B P29275 4/20 0.66
▸ ALOX15 P16050 1/20 0.53
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46

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
SCHEMBL14782094 1.00 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL4430766 0.88 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL733384 0.88 PRMT5 (0.58) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL14089358 0.88 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL13598664 0.88 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL13598817 0.88 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL873612 0.88 PRMT5 (0.58) ADORA3ADORA1ADORA2AADORA2BALOX15
SCHEMBL4432672 0.85 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL14089611 0.85 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BPRMT5
SCHEMBL13598665 0.85 ADORA3 (0.55) ADORA3ADORA1ADORA2AADORA2BPRMT5

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 138 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
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-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase MERCK SHARP & DOHME LLC 2004-06-10 — — US disclosed
CN-1498221-A Nucleoside derivatives as inhibitors of RNA-dependent PNA viral polymerase — 2004-05-19 — — CN disclosed
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN (US) 2004-04-15 — — US disclosed
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2004-04-08 — — US 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 ADORA3 4434/4885ADORA1 4354/4885ADORA2A 4584/4885
US-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA3 334/4885ADORA1 550/4885ADORA2A 416/4885
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT ADORA3 304/4885ADORA1 493/4885ADORA2A 395/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA3 334/4885ADORA1 550/4885ADORA2A 416/4885
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA3 334/4885ADORA1 550/4885ADORA2A 416/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA3 334/4885ADORA1 550/4885ADORA2A 416/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 ADORA3 4434/4885ADORA1 4354/4885ADORA2A 4584/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ADORA3 4434/4885ADORA1 4354/4885ADORA2A 4584/4885
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA3 334/4885ADORA1 550/4885ADORA2A 416/4885
US-20050164960-A1 Methods of inhibiting orthopoxvirus replication with nucleoside compounds ITPA, PNP, NUDT1 ADORA3 225/4885ADORA1 238/4885ADORA2A 192/4885

“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.

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