SCHEMBL30202063

SCHEMBL30202063

CC(C)(N)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
DGAT1 O75907 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
APLNR P35414 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL13827739 0.81 TDP1 (0.37) TDP1DGAT1CA1CA2CA7
SCHEMBL10883543 0.79 CTSK (0.39) TDP1DGAT1CA1CA2CA7
SCHEMBL22577405 0.79 MEN1 (0.38) TDP1DGAT1CA1CA2CA7
SCHEMBL24074502 0.79 TDP1 (0.36) TDP1DGAT1CA1CA2CA7
SCHEMBL1100241 0.79 MEN1 (0.38) TDP1DGAT1CA1CA2CA7
SCHEMBL19115289 0.79
SCHEMBL132657 0.79 DGAT1 (0.42) TDP1DGAT1CA1CA2CA7
SCHEMBL12440580 0.78 DGAT1 (0.43) TDP1DGAT1CA1CA2CA7
SCHEMBL5498919 0.78 DGAT1 (0.48) TDP1DGAT1CA1CA2CA7
SCHEMBL12417764 0.78 MEN1 (0.37) TDP1DGAT1CA1CA2CA7

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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TDP1 2111/4885DGAT1 4746/4885CA1 4821/4885

“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.