SCHEMBL16631514

SCHEMBL16631514

O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)C(O)[C@@H]2O)cc1Cn1cc(Cc2ccccc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.49
TK2 O00142 4/20 0.49
TK1 P04183 1/20 0.49
P2RY2 P41231 2/20 0.47
ADORA3 P0DMS8 2/20 0.46
ADORA1 P30542 2/20 0.46
KCNMA1 Q12791 1/20 0.45
SLC28A1 O00337 1/20 0.44
SLC28A2 O43868 1/20 0.44
SLC29A1 Q99808 1/20 0.44
SLC28A3 Q9HAS3 1/20 0.44
DNPH1 O43598 1/20 0.44

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
SCHEMBL16631629 0.93 PYGM (0.52) PYGMTK2TK1P2RY2ADORA3
SCHEMBL16631606 0.86 PYGM (0.53) PYGMTK2TK1P2RY2ADORA3
SCHEMBL16631427 0.85 P2RY2 (0.52) PYGMTK2TK1P2RY2ADORA3
SCHEMBL25385069 0.85 PYGM (0.61) PYGMTK2P2RY2SLC28A1SLC28A2
SCHEMBL2580905 0.85 PYGM (0.61) PYGMTK2P2RY2SLC28A1SLC28A2
SCHEMBL18080064 0.84 P2RY2 (0.56) P2RY2DNPH1
SCHEMBL16631370 0.84 ADORA3 (0.53) PYGMTK2TK1P2RY2ADORA3
SCHEMBL16631409 0.83 ADORA3 (0.47) ADORA3ADORA1KCNMA1
SCHEMBL16631649 0.82 PYGM (0.53) PYGMTK2TK1P2RY2SLC28A1
SCHEMBL16631628 0.82 PYGM (0.53) PYGMTK2TK1P2RY2SLC28A1

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 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 (1 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 PYGM 303/4885TK2 123/4885TK1 269/4885

“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.