SCHEMBL643741

SCHEMBL643741

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.60
KCNH2 Q12809 2/20 0.60
MAP1LC3B Q9GZQ8 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRN P28799 3/20 0.35
SORT1 Q99523 3/20 0.35
CTSL P07711 3/20 0.35
CTSK P43235 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
MAPK14 Q16539 2/20 0.34
PRKD3 O94806 1/20 0.34
PAK4 O96013 1/20 0.34
NTRK1 P04629 1/20 0.34
RET P07949 1/20 0.34
PDGFRA P16234 1/20 0.34
LTK P29376 1/20 0.34
CDK8 P49336 1/20 0.34
CDK7 P50613 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
SCHEMBL646949 0.91 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646467 0.90 KIF11 (0.58) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL643790 0.86 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL647604 0.86 KIF11 (0.62) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646430 0.84 KIF11 (0.83) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644051 0.83 KIF11 (0.70) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646152 0.83 KIF11 (0.65) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646979 0.83 KIF11 (0.59) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644014 0.82 KIF11 (0.73) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645756 0.82 KIF11 (0.75) 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 2582/4885MAP1LC3B 1516/4885

“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.