SCHEMBL25514751

SCHEMBL25514751

CC(C)Cn1cc(C(=O)NC(C)C)nn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.43
PSMB9 P28065 1/20 0.43
PSMB5 P28074 1/20 0.43
GLS O94925 6/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NAMPT P43490 1/20 0.41
GPR88 Q9GZN0 4/20 0.40
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
SMYD3 Q9H7B4 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
SCHEMBL22062686 0.80 DPP4 (0.46) GLSMGAMGAASIMGAM2
SCHEMBL19303001 0.79 ACHE (0.43) GLSMGAMGAASIMGAM2
SCHEMBL18270228 0.78 NAMPT (0.40) GLSMGAMGAASIMGAM2
SCHEMBL19400511 0.77 GLS (0.45) PSMB8PSMB9PSMB5GLS
SCHEMBL18896161 0.77 KDM4E (0.42) PSMB8PSMB9PSMB5GLSTSHR
SCHEMBL21210621 0.73 PSMB8 (0.39) PSMB8PSMB9PSMB5GLSTSHR
SCHEMBL4781030 0.72 MGAM (0.56) GLSMGAMGAASIMGAM2
SCHEMBL4781660 0.70 GLS (0.41) GLSMGAMGAASIMGAM2
SCHEMBL4780340 0.69 DPP4 (0.42) GLSMGAMGAASIMGAM2
SCHEMBL31162032 0.69 GLS (0.53) GLS

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-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 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-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 PSMB8 1337/4885PSMB9 3021/4885PSMB5 3486/4885

“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.