SCHEMBL6513772

SCHEMBL6513772

Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)c1ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
PLK1 P53350 2/20 0.43
BRD4 O60885 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
IDO1 P14902 2/20 0.40
PTPN1 P18031 2/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMB5 P28074 1/20 0.40
P4HB P07237 1/20 0.39
ABCB1 P08183 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL6519358 0.92 AKT1 (0.46) AKT1PLK1CTSSCTSKCTSL
SCHEMBL6518001 0.92 PLK1 (0.48) AKT1PLK1CTSSCTSKCTSL
SCHEMBL6521419 0.81 PLK1 (0.43) PLK1
SCHEMBL6518373 0.80 AURKA (0.47) PLK1
SCHEMBL6515626 0.79 PLK1 (0.49) PLK1
SCHEMBL6508656 0.78 AURKA (0.53) PLK1BRD4
SCHEMBL6533402 0.77 CHEK1 (0.44) PLK1
SCHEMBL6515094 0.77 AKT1 (0.56) AKT1CTSSCTSKCTSLCTSB
SCHEMBL6518300 0.77 AURKA (0.45) BRD4
SCHEMBL6509375 0.76 AURKA (0.45) PLK1

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 AKT1 475/4885PLK1 151/4885BRD4 874/4885

“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.