SCHEMBL454627

SCHEMBL454627

CCOC(=O)Cn1cnc2c(N)nc(C(=O)c3ccccc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.41
KDR P35968 2/20 0.40
KDM4E B2RXH2 2/20 0.40
FLT4 P35916 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
TMIGD3 P0DMS9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SRC P12931 1/20 0.39
ADORA2B P29275 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 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
SCHEMBL454082 0.85 EGFR (0.54) EGFRKDRFLT4LMNAADORA2A
SCHEMBL2153195 0.85 TSHR (0.45) EGFRTSHRKDM4ENPC1RAB9A
SCHEMBL28929138 0.83 POLB (0.46) EGFRPOLBL3MBTL1TSHRKDR
SCHEMBL431825 0.81 CDK1 (0.61) L3MBTL1TSHRKDM4ENPC1RAB9A
SCHEMBL7205594 0.78 EGFR (0.48) EGFRTSHRKDRNPC1RAB9A
SCHEMBL7529052 0.77 PTGS2 (0.46) EGFRKDRFLT4NPC1RAB9A
SCHEMBL16705270 0.77 CDK1 (0.46) L3MBTL1TSHRKDM4ENPC1RAB9A
SCHEMBL14611764 0.74 CDK1 (0.48) L3MBTL1TSHRKDM4ENPC1RAB9A
SCHEMBL29728010 0.74 ADORA2A (0.60) EGFRKDRLMNAADORA2AADORA1
SCHEMBL1565498 0.74 ADORA2A (0.60) EGFRKDRLMNAADORA2AADORA1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1810/4885POLB 583/4885L3MBTL1 508/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 EGFR 1810/4885POLB 583/4885L3MBTL1 508/4885

“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.