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Sugi Predict / Compounds / SCHEMBL1737251

SCHEMBL1737251

SCHEMBL1737251

CC(=O)O[C@@H]1[C@H](C)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1c(Br)c(C#N)c2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.42
▸ YES1 P07947 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FGFR3 P22607 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ HSPA8 P11142 2/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ CCNA2 P20248 4/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CCNA1 P78396 4/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ P2RX3 P56373 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL6738031 1.00 ABL1 (0.42) ABL1YES1LYNSRCFGFR3
SCHEMBL6735241 0.83 ADK (0.49) ABL1YES1LYNSRCFGFR3
SCHEMBL1738482 0.83 ADK (0.49) ABL1YES1LYNSRCFGFR3
SCHEMBL6877663 0.80 DYRK1A (0.50) HSPA8CDK5CDK5R1CCNA2CDK2
SCHEMBL2786035 0.79 HSPA8 (0.38) SRCKDRHSPA8CDK5CDK5R1
SCHEMBL2786030 0.79 HSPA8 (0.38) SRCKDRHSPA8CDK5CDK5R1
SCHEMBL18438958 0.78 MEN1 (0.46) GALR3DYRK1AP2RX3P2RX4P2RX2
SCHEMBL13064458 0.78 HSPA8 (0.37) SRCKDRHSPA8CDK5CDK5R1
SCHEMBL2786518 0.78 HSPA8 (0.37) SRCKDRHSPA8CDK5CDK5R1
SCHEMBL18483842 0.76 MEN1 (0.46) GALR3P2RX3P2RX4P2RX2ENPP1

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 18 patents. 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
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
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-20060264390-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase IONIS PHARMACEUTICALS, INC. 2006-11-23 — — US disclosed
US-7125855-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2006-10-24 — — US disclosed
US-20060205686-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN 2006-09-14 — — US disclosed
US-7105499-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2006-09-12 — — US disclosed
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase BHAT BALKRISHEN 2005-12-08 — — 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
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-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 (12 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 ABL1 862/4885YES1 4059/4885LYN 4309/4885
US-20040014957-A1 Oligonucleotides having modified nucleoside units RNASE1, RNASEH1, RNASEL ABL1 4051/4885YES1 4635/4885LYN 4748/4885
US-20040110717-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT ABL1 824/4885YES1 4051/4885LYN 4399/4885
US-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 ABL1 1963/4885YES1 4389/4885LYN 4553/4885
US-20060264390-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ABL1 862/4885YES1 4059/4885LYN 4309/4885
US-20040072788-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ABL1 862/4885YES1 4059/4885LYN 4309/4885
US-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE NSUN2, NSUN3, POLRMT ABL1 862/4885YES1 4059/4885LYN 4309/4885
US-20050272676-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ABL1 862/4885YES1 4059/4885LYN 4309/4885
US-20020147160-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ABL1 862/4885YES1 4059/4885LYN 4309/4885
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ABL1 862/4885YES1 4059/4885LYN 4309/4885
US-20060205686-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ABL1 862/4885YES1 4059/4885LYN 4309/4885
US-20070275912-A1 Nucleoside derivatives as inhibitors of rna-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ABL1 862/4885YES1 4059/4885LYN 4309/4885

“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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