SCHEMBL4365034

SCHEMBL4365034

COCC(=O)N(CCCN)C(c1nc(C)c(C)c(=O)n1Cc1cccc2ccccc12)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.46
KIF23 Q02241 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4363091 0.87 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5110211 0.75 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5119465 0.75 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5112356 0.74 KIF11 (0.51) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4363136 0.73 KIF11 (0.66) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5108672 0.73 KIF11 (0.51) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5112536 0.72 KIF11 (0.51) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4359887 0.70 KIF11 (0.63) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5751575 0.69 KIF11 (0.44) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4365236 0.69 KIF11 (0.58) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US disclosed
US-20070135432-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2007-06-14 US disclosed
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed
EP-1503993-A4 COMPOUNDS, METHODS AND COMPOSITIONS CYTOKINETICS INC (US) 2006-05-03 EP disclosed
EP-1503993-A2 COMPOUNDS, METHODS AND COMPOSITIONS Cytokinetics, Inc. (US) 2005-02-09 EP disclosed
US-20040077662-A1 Compounds, methods and compositions CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003094839-A2 PYRIMIDINONE COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2003-11-20 WO 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 (2 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-20040077662-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 KIF11 808/4885KIF23 418/4885MAP1LC3B 1642/4885
US-20070135432-A1 Compounds, methods and compositions ALPP, PCNA, MKI67 KIF11 808/4885KIF23 418/4885MAP1LC3B 1642/4885

“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.