SCHEMBL5899045

SCHEMBL5899045

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.51
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC26A6 Q9BXS9 2/20 0.38
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DCTPP1 Q9H773 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
PTGS2 P35354 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
SCHEMBL5787757 0.91 KIF11 (0.51) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL5790991 0.84 KIF11 (0.49) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL5899038 0.84 KIF11 (0.47) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL5899066 0.80 KIF11 (0.54) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL4040581 0.79 KIF11 (0.53) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL4040410 0.78 KIF11 (0.60) KIF11SMN1; SMN2HPGD
SCHEMBL5899048 0.78 KIF11 (0.54) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL5741124 0.77 SMN1; SMN2 (0.42) KIF11POLBSMN1; SMN2MEN1KMT2A
SCHEMBL3875862 0.77 KIF11 (0.56) KIF11POLBSMN1; SMN2SLC26A6LMNA
SCHEMBL5898996 0.77 KIF11 (0.58) 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 3 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 claimed
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 257/4885POLB 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.