SCHEMBL16631662

SCHEMBL16631662

Cc1cn(Cn2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
TK1 P04183 7/20 0.49
MAPK1 P28482 1/20 0.48
TK2 O00142 3/20 0.48
KCNMA1 Q12791 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL18080421 0.86 KCNMA1 (0.42) HPGDTK1TK2KCNMA1HRH4
SCHEMBL16631677 0.82 MAPK1 (0.44) HPGDTK1MAPK1TK2
SCHEMBL18081921 0.82 HPGD (0.69) HPGDTK1MAPK1HRH4
SCHEMBL16631660 0.81 HPGD (0.52) HPGDTK1MAPK1TK2
SCHEMBL16631675 0.78 MAPK1 (0.48) HPGDTK1MAPK1TK2
SCHEMBL18081935 0.76 MAPK1 (0.43) HPGDTK1MAPK1TK2
SCHEMBL16631458 0.75 TK1 (0.46) TK1TK2KCNMA1
SCHEMBL16631915 0.74 KCNMA1 (0.55) HPGDTK1TK2KCNMA1HRH4
SCHEMBL3996660 0.73 HPGD (1.00) HPGDTK1MAPK1
SCHEMBL18080399 0.73 KCNMA1 (0.54) HPGDTK1TK2KCNMA1HRH4

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 2 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
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 HPGD 3931/4885TK1 269/4885MAPK1 4185/4885

“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.