SCHEMBL454082

SCHEMBL454082

Nc1nc(C(=O)c2ccccc2)nc2c1ncn2CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.54
KDR P35968 3/20 0.44
SRC P12931 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
FLT4 P35916 1/20 0.40
PTGS2 P35354 1/20 0.40
ADORA2A P29274 3/20 0.40
TMIGD3 P0DMS9 2/20 0.40
ADORA1 P30542 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7529052 0.86 PTGS2 (0.46) EGFRKDRKMT2AMEN1LMNA
SCHEMBL454627 0.85 EGFR (0.47) EGFRKDRSRCALDH1A1LMNA
SCHEMBL2152998 0.80 EGFR (0.44) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL1672138 0.78 CDK1 (0.62) EGFRALDH1A1LMNAHDAC6CDK1
SCHEMBL30052313 0.78 CDK1 (0.62) EGFRALDH1A1LMNAHDAC6CDK1
SCHEMBL4735463 0.74 CDK1 (0.49) EGFRALDH1A1LMNAADORA2ATMIGD3
SCHEMBL23885478 0.73 CDK1 (0.44) EGFRALDH1A1LMNAADORA2AADORA1
SCHEMBL30052639 0.73 CDK1 (0.44) EGFRALDH1A1LMNAADORA2AADORA1
SCHEMBL6833359 0.71 PDE4A (0.47) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL1673251 0.71 EGFR (0.70) EGFRKDRSRCALDH1A1ADORA2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859490-B2 Peptide nucleic acid monomers and oligomers NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-14 US disclosed
US-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-03-15 US disclosed
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHONOLOGICAL UNIVERSITY (SG) 2011-10-06 US disclosed
WO-2010027326-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO disclosed
US-7115738-B2 Hydroxyproline/phosphono oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF (US) 2006-10-03 US disclosed
US-6962906-B2 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF (US) 2005-11-08 US disclosed
EP-1263773-A4 OLIGONUCLEOTIDE ANALOGUES, METHODS OF SYNTHESIS AND METHODS OF USE ACTIVE MOTIF (US) 2005-08-31 EP disclosed
EP-1481085-A2 OLIGONUCLEOTIDE ANALOGUES AND METHODS OF USE FOR MODULATING GENE EXPRESSION Active Motif (US) 2004-12-01 EP disclosed
US-20040014644-A1 Oligonucleotide analogues and methods of use for modulating gene expression ACTIVE MOTIF. 2004-01-22 US disclosed
WO-2003068798-A2 OLIGONUCLEOTIDE ANALOGUES AND METHODS OF USE FOR MODULATING GENE EXPRESSION ACTIVE MOTIF (US) 2003-08-21 WO disclosed
US-20030059789-A1 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF 2003-03-27 US disclosed
EP-1263773-A1 OLIGONUCLEOTIDE ANALOGUES, METHODS OF SYNTHESIS AND METHODS OF USE Active Motif (US) 2002-12-11 EP disclosed
US-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF 2002-10-24 US disclosed
WO-2001068673-A1 OLIGONUCLEOTIDE ANALOGUES, METHODS OF SYNTHESIS AND METHODS OF USE ACTIVE MOTIF (US) 2001-09-20 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 (4 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-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 EGFR 1810/4885KDR 2253/4885SRC 1941/4885
US-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use HIRA, PHAX, SSU72 EGFR 3441/4885KDR 4384/4885SRC 3052/4885
US-20040014644-A1 Oligonucleotide analogues and methods of use for modulating gene expression CRYAA, SRRT, HIRA EGFR 4515/4885KDR 4421/4885SRC 4092/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 EGFR 1810/4885KDR 2253/4885SRC 1941/4885

“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.