SCHEMBL645926

SCHEMBL645926

Cc1ccc(C2=NCCN2C(c2oc3cc(Cl)ccc3c(=O)c2Cc2cccc(C#N)c2)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAOB P27338 1/20 0.34
TP53 P04637 1/20 0.33
CLPP Q16740 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
IDH1 O75874 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CCR2 P41597 1/20 0.31
GRIA2 P42262 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
KDM1A O60341 1/20 0.30
CYP19A1 P11511 2/20 0.30
MAT2A P31153 1/20 0.30
MCHR1 Q99705 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL643850 0.91 KIF11 (0.35) KIF11KCNH2MAOBTP53IDH1
SCHEMBL643998 0.91 KIF11 (0.39) KIF11KCNH2MAOBCLPPHTR1A
SCHEMBL645471 0.90 MAOB (0.40) KIF11KCNH2MAOBHTR1AHTR7
SCHEMBL644779 0.90 KIF11 (0.54) KIF11KCNH2HTR1AHTR7HTR6
SCHEMBL646466 0.89 KIF11 (0.42) KIF11KCNH2MAOBESR1ESR2
SCHEMBL644257 0.88 KIF11 (0.45) KIF11KCNH2MAOBHTR1AHTR7
SCHEMBL645975 0.84 MAOB (0.33) KIF11KCNH2MAOBGRIN1
SCHEMBL645836 0.82 MAOB (0.38) MAOBHTR1AHTR7HTR6ESR1
SCHEMBL646432 0.81 GSK3A (0.37) KCNH2MAOBMCHR1
SCHEMBL6479580 0.81 GSK3A (0.39) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 US claimed
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP claimed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 WO claimed
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
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP disclosed
US-7629477-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-12-08 US disclosed
US-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 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
EP-1956908-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT Cytokinetics, Inc. (US) 2008-08-20 EP disclosed
WO-2007067752-A2 CERTAIN COMPOSITIONS AND METHODS OF TREATMENT CYTOKINETICS, INC. (US) 2007-06-14 WO disclosed
US-20060020008-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2006-01-26 US disclosed
US-6924376-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2005-08-02 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 (6 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-20060020008-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, TK1 KIF11 525/4885KCNH2 3954/4885MAOB 3665/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KIF11 20/4885KCNH2 955/4885MAOB 3682/4885
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-20130053436-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.