SCHEMBL644847

SCHEMBL644847

CC(C)C(c1oc2cc(C#N)ccc2c(=O)c1Cc1ccccc1)N(CCCN)C(=O)c1cc2ccccc2n1C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.57
KCNH2 Q12809 2/20 0.57
TRPA1 O75762 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALB P02768 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
KIF23 Q02241 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL646909 0.87 KIF11 (0.60) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646467 0.85 KIF11 (0.58) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645078 0.84 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL647715 0.84 KIF11 (0.58) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL647060 0.84 KIF11 (0.57) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL647423 0.83 KIF11 (0.68) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL647708 0.83 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644308 0.83 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644687 0.82 KIF11 (0.61) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645623 0.82 KIF11 (0.61) 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-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 US disclosed
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2011-09-22 US disclosed
US-7919524-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-04-05 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-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885TRPA1 4838/4885

“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.