SCHEMBL5755704

SCHEMBL5755704

COc1c(C(C(C)C)N(CCCN)C(=O)c2ccc(C)cc2)n(Cc2ccccc2)c(=O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.61
KCNH2 Q12809 2/20 0.61
MAP1LC3B Q9GZQ8 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
KIF23 Q02241 1/20 0.58
HTT P42858 1/20 0.49

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
SCHEMBL5751575 0.85 KIF11 (0.44) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4628175 0.80 KIF11 (0.59) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4879921 0.79 KIF11 (0.80) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4629019 0.79 KIF11 (0.58) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4359320 0.78 KIF11 (0.68) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4629070 0.78 KIF11 (0.57) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5753590 0.78 KIF11 (0.76) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4376437 0.78 KIF11 (0.78) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4595061 0.78 KIF11 (0.72) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL5406846 0.78 KIF11 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556357-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
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
EP-1556357-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-27 EP disclosed
WO-2003106426-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-24 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 (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-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity KIF5B, KIF2C, KIF18A KIF11 5/4885KCNH2 2019/4885MAP1LC3B 314/4885

“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.