SCHEMBL25753722

SCHEMBL25753722

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOST Q9BQB4 1/20 0.34
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MMP13 P45452 2/20 0.30
MMP10 P09238 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
SCHEMBL24972953 0.86 DDB1 (0.33) DDB1CRBNKMT2AMMP13MMP10
SCHEMBL24808855 0.83 KMT2A (0.35) SOSTDDB1CRBNKMT2AMEN1
SCHEMBL22020905 0.82
SCHEMBL25753295 0.80 ALDH1A1 (0.36) SOSTKMT2AMEN1MAPTCYP2C9
SCHEMBL25753717 0.80 KMT2A (0.34) KMT2A
SCHEMBL22021450 0.79 CYP2E1 (0.32) KMT2ACYP2C9
SCHEMBL12870940 0.78 KMT2A (0.38) KMT2AMAPTCYP2C9MMP13MMP10
SCHEMBL25753718 0.75 PGK1 (0.33) SOSTDDB1CRBN
SCHEMBL12870937 0.74 KMT2A (0.36) KMT2AMAPTCYP2C9MMP13MMP10
SCHEMBL17412813 0.71 KMT2A (0.32) DDB1CRBNKMT2AMAPTCYP2C9

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-20230257414-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-08-17 US disclosed
US-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 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 (2 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-20230257414-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 SOST 3246/4885DDB1 348/4885CRBN 4767/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 SOST 3246/4885DDB1 348/4885CRBN 4767/4885

“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.