SCHEMBL1737904

SCHEMBL1737904

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(Cl)nc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.53
▸ ADA P00813 1/20 0.45
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43
▸ ADORA3 P0DMS8 8/20 0.43
▸ ADORA1 P30542 5/20 0.43
▸ ADORA2B P29275 4/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NT5E P21589 1/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ P2RY4 P51582 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL6730328 1.00 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL14440916 0.93 ADORA2A (0.46) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL474846 0.89 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL12150880 0.89 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL12031227 0.89 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL12154572 0.89 ADORA2A (0.53) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL5481579 0.88 ADORA2A (0.49) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL13650033 0.85 ADORA2A (0.47) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL6388400 0.84 ADORA2A (0.46) ADORA2AADAPDE4DPDE3ASLC29A1
SCHEMBL6385363 0.83 ADORA2A (0.46) ADORA2AADAPDE4DPDE3ASLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — US disclosed
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE IONIS PHARMACEUTICALS, INC. 2014-10-16 — — US disclosed
US-8481712-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. (US) 2013-07-09 — — US disclosed
EP-1476169-B1 Inhibiting orthopoxvirus replication with nucleoside compounds MERCK SHARP & DOHME (US) 2013-03-20 — — EP disclosed
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2012-06-28 — — US disclosed
EP-2399588-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-12-28 — — EP disclosed
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 — — EP disclosed
US-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 — — US disclosed
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. 2007-11-29 — — US disclosed
US-7202224-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2007-04-10 — — US disclosed
US-6777395-B2 VIRICIDES MERCK & CO., INC. 2004-08-17 — — US 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-20040014957-A1 Oligonucleotides having modified nucleoside units ISIS PHARMACEUTICALS, INC. 2004-01-22 — — US disclosed
US-20040014108-A1 Oligonucleotides having modified nucleoside units ISIS PHARMACEUTICALS, INC. 2004-01-22 — — US disclosed
EP-1355916-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE Merck & Co., Inc. (US) 2003-10-29 — — EP disclosed
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2002-10-10 — — US disclosed
WO-2002057287-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2002-07-25 — — 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 (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-20040067901-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20040014108-A1 Oligonucleotides having modified nucleoside units RNASEH1, RNASE1, RNASEL ADORA2A 1134/4885ADA 56/4885PDE4D 2226/4885
US-20040014957-A1 Oligonucleotides having modified nucleoside units RNASE1, RNASEH1, RNASEL ADORA2A 813/4885ADA 42/4885PDE4D 2219/4885
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 395/4885ADA 110/4885PDE4D 996/4885
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 ADORA2A 1654/4885ADA 209/4885PDE4D 1762/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885PDE4D 1080/4885

“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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