SCHEMBL6523707

SCHEMBL6523707

Cc1nn(C2CCCCO2)c2c1c(=O)n(CCCN(C)C)c1ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.41
MPO P05164 3/20 0.39
XDH P47989 3/20 0.39
CHEK1 O14757 3/20 0.39
CNR2 P34972 2/20 0.37
CTSK P43235 1/20 0.36
ACHE P22303 2/20 0.35
BACE1 P56817 2/20 0.35
MYLK Q15746 1/20 0.34

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
SCHEMBL6532089 0.88 TOP1 (0.39) TOP1MPOXDHCHEK1CNR2
SCHEMBL6525537 0.75 CASP3 (0.37) CNR2
SCHEMBL6507186 0.74 HTR2C (0.41) TOP1CHEK1CNR2BACE1
SCHEMBL14538890 0.74 GAA (0.41) CNR2
SCHEMBL6514717 0.73 PDE2A (0.44) CHEK1
SCHEMBL6511094 0.72 CHEK1 (0.41) CHEK1CNR2
SCHEMBL6515376 0.72 MAPT (0.41) CHEK1CNR2
SCHEMBL6514701 0.72 CHEK1 (0.36) TOP1CHEK1CNR2BACE1
SCHEMBL6522000 0.71 CHEK1 (0.41) CHEK1CNR2
SCHEMBL6517699 0.71 ATR (0.39) CHEK1CNR2

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 TOP1 979/4885MPO 4800/4885XDH 4485/4885

“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.