SCHEMBL5898997

SCHEMBL5898997

CCC(CCCCNCCC(N)=O)c1nc2onc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.52
SMN1; SMN2 Q16637 1/20 0.38
SLC26A6 Q9BXS9 2/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL5899059 0.84 KIF11 (0.54) KIF11SMN1; SMN2
SCHEMBL5899066 0.83 KIF11 (0.54) KIF11SMN1; SMN2SLC26A6HPGDMEN1
SCHEMBL5899006 0.83 KIF11 (0.51) KIF11SMN1; SMN2SLC26A6
SCHEMBL5899080 0.80 KIF11 (0.52) KIF11
SCHEMBL5899000 0.79 KIF11 (0.54) KIF11
SCHEMBL4038758 0.76 KIF11 (0.66) KIF11
SCHEMBL5898996 0.76 KIF11 (0.58) KIF11SMN1; SMN2SLC26A6HPGDMEN1
SCHEMBL4040410 0.75 KIF11 (0.60) KIF11SMN1; SMN2HPGD
SCHEMBL4038239 0.75 KIF11 (0.76) KIF11
SCHEMBL4040581 0.74 KIF11 (0.53) KIF11SMN1; SMN2SLC26A6HPGDMEN1

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.