SCHEMBL16631280

SCHEMBL16631280

O=c1[nH]c(Cc2cn(Cc3ccccc3)nn2)c([C@@H]2O[C@H](CO)C(O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
CYP19A1 P11511 1/20 0.39
TK2 O00142 1/20 0.38
TK1 P04183 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
OGA O60502 1/20 0.37
KCNMA1 Q12791 1/20 0.37
BCHE P06276 2/20 0.37
SLC5A2 P31639 2/20 0.36
MPO P05164 1/20 0.36
SLC5A1 P13866 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
SCHEMBL16631476 0.93 TK2 (0.42) ADORA3ADORA1TK2TK1OGA
SCHEMBL16631276 0.87 SLC5A2 (0.35) BCHESLC5A2
SCHEMBL16631278 0.85 CA1 (0.42)
SCHEMBL18080069 0.84 P2RY2 (0.44)
SCHEMBL16631473 0.83 ADORA3 (0.35) ADORA3ADORA1BCHESLC5A2
SCHEMBL16631410 0.83 SLC5A2 (0.36) TK2TK1OGASLC5A2
SCHEMBL16631464 0.81 LGALS3 (0.46) CYP19A1TK2TK1
SCHEMBL16631260 0.80 LGALS3 (0.38) ADORA3ADORA1TK2TK1OGA
SCHEMBL16631459 0.79 SYNJ2 (0.36) SLC5A2SLC5A1
SCHEMBL18080086 0.77 P2RY2 (0.44)

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 ADORA3 609/4885ADORA1 1601/4885CYP19A1 4868/4885

“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.