SCHEMBL16631717

SCHEMBL16631717

Cn1cc(Cc2cn(C)c(=O)[nH]c2=O)nn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
DAO P14920 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
PMP22 Q01453 1/20 0.30
PDE4A P27815 1/20 0.30
ADORA2A P29274 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL18080366 0.86 DDB1 (0.35) DDB1CRBNGRIN1GRIN2BMAOA
SCHEMBL18081774 0.84 AMY1A (0.33) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL16631713 0.83 HTT (0.32)
SCHEMBL16631690 0.80 L3MBTL1 (0.47) DDB1CRBNMAOA
SCHEMBL18081925 0.78 MAPK1 (0.31) DAOMAPK1
SCHEMBL16631404 0.74 GRIN1 (0.41) DDB1CRBNGRIN1GRIN2BMAPK1
SCHEMBL20215653 0.73 DAO (0.46) CRBNDAOCYP3A4MAPK1PMP22
SCHEMBL35260 0.73 SMN1; SMN2 (0.42) CRBNGRIN1GRIN2BDAOCYP3A4
SCHEMBL18081754 0.72 CHRNE (0.35)
SCHEMBL16631915 0.72 KCNMA1 (0.55)

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 DDB1 620/4885CRBN 2319/4885GRIN1 4583/4885

“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.