SCHEMBL10192145

SCHEMBL10192145

CC(C)[C@@H](NC(=O)OC(C)(C)C)c1oc2cc(Cl)ccc2c(=O)c1Cc1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
KCNH2 Q12809 1/20 0.41
CTSL P07711 1/20 0.41
LMNA P02545 2/20 0.37
MAOB P27338 2/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
PTGES O14684 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13309372 1.00 KIF11 (0.41) KIF11KCNH2CTSLLMNAMAOB
SCHEMBL10192147 0.89 KIF11 (0.50) KIF11KCNH2CTSLLMNATSHR
SCHEMBL13309006 0.89 KIF11 (0.50) KIF11KCNH2CTSLLMNATSHR
SCHEMBL13309019 0.88 CTSS (0.39) KIF11KCNH2CTSLLMNATSHR
SCHEMBL15434858 0.88 CTSS (0.39) KIF11KCNH2CTSLLMNATSHR
SCHEMBL12735747 0.83 KIF11 (0.41) KIF11KCNH2MAOBMAPTCNR1
SCHEMBL3275576 0.80 KIF11 (0.47) KIF11KCNH2MAOBCNR1CNR2
SCHEMBL10246484 0.80 KIF11 (0.45) KIF11KCNH2MAOBCNR1CNR2
SCHEMBL10192144 0.80 KIF11 (0.45) KIF11KCNH2MAOBCNR1CNR2
SCHEMBL11920178 0.79 KIF11 (0.45) KIF11KCNH2LMNATSHRPPARG

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-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS MCDONALD ANDREW (US) 2013-02-28 US disclosed
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-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 2582/4885CTSL 2228/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885CTSL 2228/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885CTSL 2228/4885
US-20130053436-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.