SCHEMBL5863987

SCHEMBL5863987

CC(C)C(c1cc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.66
KCNH2 Q12809 2/20 0.66
MAP1LC3B Q9GZQ8 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
KIF23 Q02241 1/20 0.51

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
SCHEMBL5753590 0.93 KIF11 (0.76) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5754809 0.84 KIF11 (0.55) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1043685 0.83 KIF11 (0.59) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL13657222 0.83 KIF11 (0.59) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL1044036 0.82 KIF11 (0.67) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Ispinesib SCHEMBL370194 0.79 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Ispinesib SCHEMBL15810599 0.79 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Ispinesib SCHEMBL3582165 0.79 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
Ispinesib SCHEMBL29375933 0.79 KIF11 (1.00) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5757998 0.79 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19

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-7041676-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2006-05-09 US disclosed
US-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity CYTOKINETICS, INC. 2006-01-26 US disclosed
US-20040082567-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-04-29 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 (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-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity KIF5B, KIF2C, KIF18A KIF11 5/4885KCNH2 2019/4885MAP1LC3B 314/4885
US-20040082567-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KIF11 562/4885KCNH2 2828/4885MAP1LC3B 1330/4885

“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.