SCHEMBL16631603

SCHEMBL16631603

Nc1nc(=O)n([C@@H]2O[C@H](CO)C(O)[C@@H]2O)cc1-n1cc(-c2ccccc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.53
LMNA P02545 2/20 0.50
MTOR P42345 2/20 0.50
THRB P10828 1/20 0.50
MDM2 Q00987 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
DNMT1 P26358 1/20 0.47
THPO P40225 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
HBB P68871 1/20 0.47
PMP22 Q01453 1/20 0.47
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46

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
SCHEMBL16631623 0.85 ADORA3 (0.55) ADORA3LMNAMTORTHRBMDM2
SCHEMBL18080052 0.84 P2RY2 (0.56)
SCHEMBL16631428 0.83 LMNA (0.48) ADORA3LMNAMTORTHRBMDM2
SCHEMBL16631509 0.83 LMNA (0.52) LMNAMTORTHRBMDM2NCOA1
SCHEMBL16631515 0.83 LMNA (0.50) ADORA3LMNAMTORTHRBMDM2
SCHEMBL16631494 0.82 P2RY2 (0.54) ADORA3
SCHEMBL2587140 0.82 LMNA (0.60) ADORA3LMNAMTORTHRBMDM2
SCHEMBL16781785 0.82 LMNA (0.60) ADORA3LMNAMTORTHRBMDM2
SCHEMBL16781784 0.82 LMNA (0.60) ADORA3LMNAMTORTHRBMDM2
SCHEMBL19008281 0.82 LMNA (0.60) ADORA3LMNAMTORTHRBMDM2

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 609/4885LMNA 776/4885MTOR 4754/4885

“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.