SCHEMBL28545503

SCHEMBL28545503

CC1(C#N)CC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.51
BTK Q06187 1/20 0.44
HSD11B1 P28845 2/20 0.43
EPHX2 P34913 1/20 0.42
GAA P10253 2/20 0.40
KCNA3 P22001 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL28542561 0.87 GAA (0.45) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL31644875 0.86 CTSK (0.48) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL31644829 0.86 CTSK (0.48) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL25301728 0.84 CTSK (0.51) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL25298552 0.83 CTSK (0.50) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL17409347 0.80 BTK (0.49) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL19021203 0.80 BTK (0.49) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL14801762 0.80 BTK (0.49) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL23562293 0.78 BTK (0.47) CTSKBTKHSD11B1EPHX2GAA
SCHEMBL14755253 0.78 BTK (0.47) CTSKBTKHSD11B1EPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479546-B2 Antimalarial hexahydropyrimidine analogues UCB Biopharma SRL 2022-10-25 US disclosed
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP disclosed
CN-111936472-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2020-11-13 CN 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-11479546-B2 Antimalarial hexahydropyrimidine analogues G6PD, DPYD, DHODH CTSK 4231/4885BTK 2336/4885HSD11B1 2490/4885

“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.