SCHEMBL646467

SCHEMBL646467

CC(C)C(c1oc2cc(C#N)ccc2c(=O)c1Cc1ccccc1)N(CCCN)C(=O)c1cc(C(C)(C)C)nn1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.58
KCNH2 Q12809 2/20 0.58
CTSL P07711 8/20 0.38
CTSK P43235 5/20 0.38
CTSB P07858 6/20 0.36
MAP1LC3B Q9GZQ8 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSS P25774 4/20 0.35
CTSV O60911 2/20 0.35
GRN P28799 2/20 0.34
SORT1 Q99523 2/20 0.34
HTT P42858 1/20 0.33
PRKD3 O94806 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
CDK8 P49336 1/20 0.33

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 0.91 KIF11 (0.60) KIF11KCNH2CTSLCTSKMAP1LC3B
SCHEMBL643741 0.90 KIF11 (0.60) KIF11KCNH2CTSLCTSKCTSB
SCHEMBL644847 0.85 KIF11 (0.57) KIF11KCNH2CTSLMAP1LC3BCYP3A4
SCHEMBL647060 0.84 KIF11 (0.57) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645078 0.83 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645623 0.83 KIF11 (0.61) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644687 0.83 KIF11 (0.61) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645942 0.82 KIF11 (0.61) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644308 0.82 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL647423 0.82 KIF11 (0.68) 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 2582/4885CTSL 2228/4885

“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.