SCHEMBL643497

SCHEMBL643497

CC(C)C(c1oc2cc(Cl)ccc2c(=O)c1Cc1cccc(C#N)c1)N(CCCN)C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.65
KCNH2 Q12809 4/20 0.65
MAP1LC3B Q9GZQ8 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MCHR1 Q99705 3/20 0.33
PDE5A O76074 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SNCA P37840 1/20 0.32
RAB9A P51151 2/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TPSAB1 Q15661 1/20 0.32
NPC1 O15118 1/20 0.32
KIF23 Q02241 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
SCHEMBL647538 0.95 KIF11 (0.57) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645507 0.92 KIF11 (0.54) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644934 0.91 KIF11 (0.53) KIF11KCNH2CYP3A4CYP2C19MCHR1
SCHEMBL645292 0.91 KIF11 (0.79) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646310 0.90 KIF11 (0.63) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644864 0.89 KIF11 (0.81) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645458 0.89 KIF11 (0.72) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645338 0.89 KIF11 (0.66) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645601 0.89 KIF11 (0.53) KIF11KCNH2MCHR1ALDH1A1RAB9A
SCHEMBL643695 0.88 KIF11 (0.69) 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.