SCHEMBL5898995

SCHEMBL5898995

Cc1noc2nc([CH]CC(N)=O)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.40
SLC26A6 Q9BXS9 2/20 0.39
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLA2G2A P14555 5/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.37
DCTPP1 Q9H773 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
SCHEMBL4042840 0.84 KIF11 (0.53) KIF11SMN1; SMN2HPGDSLC26A6LMNA
SCHEMBL3871568 0.74 SMN1; SMN2 (0.53) KIF11SMN1; SMN2HPGDNPSR1MAPT
SCHEMBL5899066 0.73 KIF11 (0.54) KIF11SMN1; SMN2HPGDSLC26A6POLB
SCHEMBL4038758 0.73 KIF11 (0.66) KIF11
SCHEMBL5898996 0.73 KIF11 (0.58) KIF11SMN1; SMN2HPGDSLC26A6POLB
SCHEMBL3872559 0.73 KIF11 (0.54) KIF11SMN1; SMN2HPGDSLC26A6POLB
SCHEMBL3901729 0.73 SMN1; SMN2 (0.48) KIF11SMN1; SMN2HPGDSLC26A6NPSR1
SCHEMBL4038239 0.72 KIF11 (0.76) KIF11
SCHEMBL6208130 0.72 KIF11 (0.48) KIF11SMN1; SMN2HPGDSLC26A6POLB
SCHEMBL5899048 0.71 KIF11 (0.54) KIF11SMN1; SMN2HPGDSLC26A6POLB

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 1670/4885HPGD 1266/4885

“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.