SCHEMBL16631623

SCHEMBL16631623

Nc1nc(=O)n([C@@H]2O[C@H](CO)C(O)[C@@H]2O)cc1-n1cc(Cc2ccccc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.55
ADORA1 P30542 4/20 0.55
LMNA P02545 2/20 0.48
MTOR P42345 2/20 0.48
THRB P10828 1/20 0.48
MDM2 Q00987 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
DNMT1 P26358 1/20 0.46
THPO P40225 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
PMP22 Q01453 1/20 0.46
ADORA2A P29274 6/20 0.43

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
SCHEMBL16631619 0.86 ADORA3 (0.51) ADORA3ADORA1LMNAMTORTHRB
SCHEMBL16631603 0.85 ADORA3 (0.53) ADORA3LMNAMTORTHRBMDM2
SCHEMBL16631409 0.84 ADORA3 (0.47) ADORA3ADORA1LMNAMTORTHRB
SCHEMBL16631367 0.84 LMNA (0.48) ADORA3ADORA1LMNAMTORTHRB
SCHEMBL18080048 0.83 P2RY2 (0.57)
SCHEMBL16631370 0.83 ADORA3 (0.53) ADORA3ADORA1SLC29A1
SCHEMBL16631638 0.82 LMNA (0.50) ADORA3LMNAMTORTHRBMDM2
SCHEMBL16631509 0.82 LMNA (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL2578281 0.81 LMNA (0.57) ADORA3ADORA1LMNAMTORTHRB
SCHEMBL16631403 0.80 ADORA3 (0.49) ADORA3ADORA1LMNAMTORTHRB

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 1601/4885LMNA 776/4885

“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.