SCHEMBL16631910

SCHEMBL16631910

CC(C)c1cn(Cc2cn(C)c(=O)[nH]c2=O)nn1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CXCL8 P10145 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL18080395 0.89 NTRK1 (0.32) MEN1KMT2A
SCHEMBL16631909 0.82 MAPK1 (0.34) HPGDMAPK1
SCHEMBL18081754 0.80 CHRNE (0.35)
SCHEMBL16631915 0.76 KCNMA1 (0.55) HPGD
SCHEMBL16631913 0.75 CYP19A1 (0.52) MEN1KMT2A
SCHEMBL16631734 0.75 NTRK1 (0.31) MEN1KMT2A
SCHEMBL16631711 0.75 TK1 (0.33) MEN1KMT2AMAPK1
SCHEMBL18080394 0.74 MAPK1 (0.33) MEN1KMT2AMAPK1
SCHEMBL16631906 0.73 CYP19A1 (0.38)
SCHEMBL18081752 0.73 EGLN2 (0.39) GAAL3MBTL1

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 MEN1 3881/4885KMT2A 3598/4885CXCL8 2695/4885

“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.