SCHEMBL25753718

SCHEMBL25753718

CC(=O)NCC#Cc1cn(C(C)(C)C)c(=O)nc1N

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.33
SOST Q9BQB4 1/20 0.32
DDB1 Q16531 2/20 0.31
CRBN Q96SW2 2/20 0.31

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
SCHEMBL24971415 0.87 DDB1 (0.32) DDB1CRBN
SCHEMBL26010436 0.83 PGK1 (0.34) PGK1SOSTDDB1CRBN
SCHEMBL25753716 0.81 TLR8 (0.31)
SCHEMBL24877148 0.81 CYP2E1 (0.33)
SCHEMBL25753275 0.80 ACACB (0.33) PGK1SOST
SCHEMBL12870914 0.78 PGK1 (0.32) PGK1SOST
SCHEMBL25753719 0.76 RET (0.46)
SCHEMBL12870913 0.75 KMT2A (0.32) PGK1
SCHEMBL25753722 0.75 SOST (0.34) SOSTDDB1CRBN
SCHEMBL22326933 0.72 PGK1 (0.30) PGK1

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 PGK1 1973/4885SOST 3246/4885DDB1 348/4885
US-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 PGK1 1973/4885SOST 3246/4885DDB1 348/4885

“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.