SCHEMBL5899005

SCHEMBL5899005

CCCC(C(CC)c1nc2onc(C)c2c(=O)n1Cc1ccccc1)N(CCC(N)=O)C(=O)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.52
SMN1; SMN2 Q16637 1/20 0.36
SLC26A6 Q9BXS9 1/20 0.36
KIF23 Q02241 1/20 0.35

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
SCHEMBL5790469 0.92 KIF11 (0.52) KIF11SMN1; SMN2KIF23
SCHEMBL5786557 0.86 KIF11 (0.53) KIF11KIF23
SCHEMBL5898998 0.85 KIF11 (0.56) KIF11KIF23
SCHEMBL5899006 0.82 KIF11 (0.51) KIF11SMN1; SMN2SLC26A6KIF23
SCHEMBL4038758 0.81 KIF11 (0.66) KIF11
SCHEMBL4038208 0.79 KIF11 (0.76) KIF11
SCHEMBL4038239 0.79 KIF11 (0.76) KIF11
SCHEMBL4041278 0.79 KIF11 (0.60) KIF11
SCHEMBL4037835 0.79 KIF11 (0.62) KIF11
SCHEMBL4038733 0.78 KIF11 (0.62) KIF11

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-7022850-B2 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 US disclosed
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2004-12-02 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-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases CCNB1, CCNB2, CCNI KIF11 257/4885SMN1; SMN2 1670/4885SLC26A6 2690/4885

“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.