SCHEMBL48132

SCHEMBL48132

CC(C(=O)O)n1cnc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.67
ADORA1 P30542 4/20 0.67
ADORA2B P29275 2/20 0.67
PI4KA P42356 1/20 0.67
PI4K2B Q8TCG2 1/20 0.67
PI4K2A Q9BTU6 1/20 0.67
PI4KB Q9UBF8 1/20 0.67
ALDH1A1 P00352 2/20 0.55
ADA P00813 4/20 0.51
PDE2A O00408 3/20 0.51
CYP3A4 P08684 2/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL5360808 0.83 ADORA2A (0.59) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL9536725 0.82 FGFR1 (0.45) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL3949676 0.81 ADORA2A (0.68) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5049210 0.81 ADORA2A (0.63) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4813561 0.81 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL754007 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Hydrochloric Acid SCHEMBL9193025 0.80 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24205121 0.79 ADORA2A (0.77) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18521145 0.79 ADORA2A (0.77) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Hydrochloric Acid SCHEMBL30881556 0.79 ADORA2A (0.96) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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 15 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-8859490-B2 Peptide nucleic acid monomers and oligomers NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-10-14 US disclosed
EP-2028272-B1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORP (JP) 2014-01-08 EP disclosed
US-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-03-15 US disclosed
US-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-03-15 US disclosed
US-8129115-B2 Method of modifying nucleotide chain PANASONIC CORPORATION (JP) 2012-03-06 US disclosed
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHONOLOGICAL UNIVERSITY (SG) 2011-10-06 US disclosed
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHONOLOGICAL UNIVERSITY (SG) 2011-10-06 US disclosed
US-20100291637-A1 METHOD FOR MODIFYING NUCLEOTIDE CHAIN PANASONIC CORPORATION (JP) 2010-11-18 US disclosed
WO-2010027326-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO disclosed
US-20100015670-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORPORATION (JP) 2010-01-21 US disclosed
EP-1647592-B1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORP (JP) 2009-03-11 EP disclosed
EP-2028272-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN Panasonic Corporation (JP) 2009-02-25 EP disclosed
US-20070077629-A1 Method for modifying nucleotide chain PANASONIC CORPORATION (JP) 2007-04-05 US disclosed
EP-1647592-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2006-04-19 EP 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 ADORA2A 3478/4885ADORA1 2833/4885ADORA2B 2984/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 ADORA2A 3478/4885ADORA1 2833/4885ADORA2B 2984/4885

“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.