SCHEMBL10246484

SCHEMBL10246484

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAOB P27338 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.38
GLA P06280 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 1/20 0.36
MAOA P21397 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
IDH1 O75874 1/20 0.34
MAT2A P31153 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
SCHEMBL10192144 1.00 KIF11 (0.45) KIF11KCNH2MAOBMRGPRX4GLA
SCHEMBL14728204 0.88 MAOB (0.41) KIF11KCNH2MAOBGLAMAOA
SCHEMBL644058 0.86 KIF11 (0.56) KIF11KCNH2MAOBGLAMAOA
SCHEMBL643909 0.86 KIF11 (0.56) KIF11KCNH2MAOBGLAMAOA
SCHEMBL3275576 0.83 KIF11 (0.47) KIF11KCNH2MAOBMRGPRX4CNR1
SCHEMBL12735747 0.83 KIF11 (0.41) KIF11KCNH2MAOBMRGPRX4CNR1
SCHEMBL5782615 0.81 KIF11 (0.48) KIF11KCNH2MAOBMRGPRX4CNR1
SCHEMBL13309372 0.80 KIF11 (0.41) KIF11KCNH2MAOBMRGPRX4CNR1
SCHEMBL10192145 0.80 KIF11 (0.41) KIF11KCNH2MAOBMRGPRX4CNR1
SCHEMBL645458 0.77 KIF11 (0.72) KIF11KCNH2MAOB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329928-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-12-11 US disclosed
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2012-08-16 US disclosed
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
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP disclosed
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. 2010-04-29 US disclosed
US-7629477-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-12-08 US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-20090005580-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2009-01-01 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 (4 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-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAOB 2109/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAOB 2109/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAOB 2109/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAOB 2109/4885

“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.