SCHEMBL16631458

SCHEMBL16631458

O=c1[nH]c(=O)n(Cn2cc(Cc3ccccc3)nn2)cc1[C@@H]1O[C@H](CO)C(O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.46
TK2 O00142 2/20 0.46
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
OGA O60502 1/20 0.39
SLC5A2 P31639 1/20 0.39
BCHE P06276 1/20 0.38
KCNMA1 Q12791 1/20 0.37
LGALS3 P17931 1/20 0.36

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
SCHEMBL16631314 0.87 PYGM (0.37) ADORA3ADORA1SLC5A2BCHE
SCHEMBL16631429 0.86 SIRT2 (0.40) TK1TK2ADORA3ADORA1OGA
SCHEMBL16631457 0.85 TK2 (0.44) TK1TK2LGALS3
SCHEMBL18080127 0.84 P2RY2 (0.44)
SCHEMBL16631292 0.83 SLC5A2 (0.38) TK2SLC5A2
SCHEMBL16631282 0.82 PYGM (0.39) TK2SLC5A2LGALS3
SCHEMBL15798913 0.80 HPGD (0.49) TK2SLC5A2
SCHEMBL15810628 0.80 HPGD (0.49) TK2SLC5A2
SCHEMBL18852587 0.80 HPGD (0.49) TK2SLC5A2
SCHEMBL18159000 0.80 HPGD (0.49) TK2SLC5A2

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 TK1 269/4885TK2 123/4885ADORA3 609/4885

“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.