SCHEMBL455646

SCHEMBL455646

O=C(O)Cn1cnc2c(O)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.49
EGFR P00533 3/20 0.49
CSNK2A2 P19784 2/20 0.47
CSNK2A1 P68400 2/20 0.47
KDR P35968 2/20 0.46
FLT4 P35916 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SRC P12931 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.40
PTGS2 P35354 1/20 0.40
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CA1 P00915 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
SCHEMBL23885424 0.82 P2RX7 (0.66) P2RX7EGFRCSNK2A2CSNK2A1KDR
SCHEMBL1673251 0.82 EGFR (0.70) EGFRKDRALDH1A1SRCADORA2A
SCHEMBL8768263 0.78 CYP1A2 (0.59) P2RX7EGFRCSNK2A2CSNK2A1KDR
SCHEMBL8769186 0.78 FLT4 (0.72) P2RX7EGFRCSNK2A2CSNK2A1KDR
SCHEMBL28770510 0.77 ADORA2A (0.47) ALDH1A1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL6013391 0.77 ADORA2A (0.64) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL7278897 0.77 ALDH1A1 (0.56) P2RX7EGFRALDH1A1ADORA2AADORA1
SCHEMBL7278886 0.77 ALDH1A1 (0.56) P2RX7EGFRALDH1A1ADORA2AADORA1
SCHEMBL10889158 0.76 ADORA2A (0.68) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2979897 0.74 ADORA2A (0.68) ALDH1A1LMNAKDM4ETDP1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220290145-A1 Modified RNA Agents with Reduced Off-Target Effect ALNYLAM PHARMACEUTICALS, INC. (US) 2022-09-15 US disclosed
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

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 P2RX7 2965/4885EGFR 1810/4885CSNK2A2 1356/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 P2RX7 2965/4885EGFR 1810/4885CSNK2A2 1356/4885

“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.