SCHEMBL12870940

SCHEMBL12870940

CC(=O)NCC#Cc1cn(CC=O)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
TK1 P04183 7/20 0.34
MMP13 P45452 3/20 0.34
MMP10 P09238 2/20 0.34

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
SCHEMBL12870959 0.84 KMT2A (0.36) KMT2ATK1MMP13MMP10
SCHEMBL24808855 0.80 KMT2A (0.35) KMT2AMAPTCYP2C9MMP13
SCHEMBL12870937 0.79 KMT2A (0.36) KMT2AMAPTCYP2C9MMP13MMP10
SCHEMBL12870914 0.76 PGK1 (0.32)
SCHEMBL24849610 0.72 KMT2A (0.41) KMT2AMMP13MMP10
SCHEMBL23957865 0.68 KMT2A (0.33) KMT2AMAPTCYP2C9
SCHEMBL6714052 0.67 TK1 (0.57) TK1
SCHEMBL29757418 0.66 TK1 (0.58) TK1
SCHEMBL12870950 0.66 PKM (0.39) KMT2AMMP13MMP10
SCHEMBL12870935 0.66 KMT2A (0.33) KMT2AMMP13MMP10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028337-A1 NUCLEOBASE CHARACTERISATION NUCLEOBASE CHARACTERISATION 2011-02-03 US 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-20110028337-A1 NUCLEOBASE CHARACTERISATION NT5C3B, NT5C2, NT5E KMT2A 1275/4885MAPT 3324/4885CYP2C9 2630/4885

“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.