SCHEMBL6515094

SCHEMBL6515094

Cc1n[nH]c2c1c(=O)n(CCNC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.56
CTSS P25774 8/20 0.49
CTSK P43235 7/20 0.49
CTSB P07858 2/20 0.49
CTSL P07711 2/20 0.49
MMP2 P08253 1/20 0.43
SCN9A Q15858 2/20 0.42
CCKAR P32238 2/20 0.42
CCKBR P32239 2/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL6507966 0.86 PIM1 (0.45)
SCHEMBL6515100 0.80 CTSS (0.41) AKT1CTSSCTSKCTSBCTSL
SCHEMBL6518001 0.78 PLK1 (0.48) AKT1CTSSCTSKCTSBCTSL
SCHEMBL6519358 0.78 AKT1 (0.46) AKT1CTSSCTSKCTSBCTSL
SCHEMBL6513772 0.77 AKT1 (0.46) AKT1CTSSCTSKCTSBCTSL
SCHEMBL6514615 0.74 PIK3R1 (0.41)
SCHEMBL2440946 0.74 CTSS (0.79) AKT1CTSSCTSKCTSBCTSL
SCHEMBL21010315 0.74 CTSS (0.79) AKT1CTSSCTSKCTSBCTSL
SCHEMBL22915477 0.73 AKT1 (1.00) AKT1CTSSCTSKCTSBCTSL
SCHEMBL2446582 0.72 CTSS (0.76) AKT1CTSSCTSKCTSBCTSL

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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 475/4885CTSS 983/4885CTSK 102/4885

“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.