SCHEMBL5787757

SCHEMBL5787757

CCC(NC(=O)CCCC#N)c1nc2onc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.51
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC26A6 Q9BXS9 2/20 0.36
PIK3CD O00329 4/20 0.36
PIK3CG P48736 4/20 0.36
PIK3R2 O00459 2/20 0.36
HDAC6 Q9UBN7 3/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
LMNA P02545 1/20 0.34
HDAC1 Q13547 1/20 0.34
HPGD P15428 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
SCHEMBL5899045 0.91 KIF11 (0.51) KIF11POLBSMN1; SMN2SLC26A6HDAC6
SCHEMBL5790991 0.85 KIF11 (0.49) KIF11POLBSMN1; SMN2SLC26A6PIK3CD
SCHEMBL5899038 0.85 KIF11 (0.47) KIF11POLBSMN1; SMN2SLC26A6PIK3CD
SCHEMBL5787761 0.84 KIF11 (0.38) KIF11POLBSMN1; SMN2PIK3CDPIK3CG
SCHEMBL4040581 0.81 KIF11 (0.53) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL5899066 0.79 KIF11 (0.54) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL5899079 0.78 KIF11 (0.63) KIF11
SCHEMBL4040410 0.78 KIF11 (0.60) KIF11SMN1; SMN2PIK3CDPIK3CGPIK3R2
SCHEMBL5899068 0.77 KIF11 (0.73) KIF11
SCHEMBL5899048 0.76 KIF11 (0.54) KIF11POLBSMN1; SMN2SLC26A6LMNA

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 4 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
EP-1628981-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
WO-2004106492-A2 BICYCLICPYRIMIDONES AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-09 WO 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 257/4885POLB 178/4885SMN1; SMN2 1670/4885

“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.