SCHEMBL4040410

SCHEMBL4040410

CCC(NCCCN)c1nc2onc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.60
SMN1; SMN2 Q16637 1/20 0.41
KIF23 Q02241 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3R2 O00459 2/20 0.37
PIK3CG P48736 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4040581 0.93 KIF11 (0.53) KIF11SMN1; SMN2HPGD
SCHEMBL5899066 0.88 KIF11 (0.54) KIF11SMN1; SMN2HPGD
SCHEMBL5790991 0.87 KIF11 (0.49) KIF11SMN1; SMN2PIK3CDPIK3R2PIK3CG
SCHEMBL3901568 0.84 KIF11 (0.49) KIF11SMN1; SMN2
SCHEMBL3867071 0.82 KIF11 (0.59) KIF11KIF23
SCHEMBL5898996 0.82 KIF11 (0.58) KIF11SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL3873756 0.81 KIF11 (0.59) KIF11KIF23
SCHEMBL3875862 0.80 KIF11 (0.56) KIF11SMN1; SMN2HPGD
SCHEMBL5899045 0.78 KIF11 (0.51) KIF11SMN1; SMN2HPGD
SCHEMBL5787757 0.78 KIF11 (0.51) KIF11SMN1; SMN2PIK3CDPIK3R2PIK3CG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP claimed
US-7022850-B2 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 US claimed
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed
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 1670/4885KIF23 195/4885

“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.