SCHEMBL12870935

SCHEMBL12870935

O=C(NCC#Cc1cn(CC2OCCO2)c(=O)[nH]c1=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MMP10 P09238 7/20 0.33
MMP13 P45452 7/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL12870937 0.87 KMT2A (0.36) KMT2AMMP10MMP13LMNA
SCHEMBL24849610 0.84 KMT2A (0.41) KMT2AMMP10MMP13LMNA
SCHEMBL12870921 0.80 IKBKE (0.32) KMT2A
SCHEMBL16303942 0.80 KMT2A (0.30) KMT2A
SCHEMBL12870930 0.79 KMT2A (0.34) KMT2ALMNA
SCHEMBL17412813 0.79 KMT2A (0.32) KMT2AMMP10MMP13LMNA
SCHEMBL24972953 0.78 DDB1 (0.33) KMT2AMMP10MMP13LMNA
SCHEMBL12870950 0.77 PKM (0.39) KMT2AMMP10MMP13LMNA
SCHEMBL18622153 0.76 MMP10 (0.32) KMT2AMMP10MMP13
SCHEMBL22815031 0.75 MMP13 (0.35) KMT2AMMP10MMP13

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-20110028337-A1 NUCLEOBASE CHARACTERISATION NUCLEOBASE CHARACTERISATION 2011-02-03 US disclosed
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 1275/4885MMP10 4217/4885MMP13 4408/4885

“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.