SCHEMBL646807

SCHEMBL646807

COc1ccc2c(=O)c(Cc3ccccc3)c(C(C(C)C)N3CC(C)(C)N=C3c3ccc(C)cc3)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.42
NPSR1 Q6W5P4 3/20 0.41
KIF11 P52732 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL12735763 1.00 CYP19A1 (0.42) CYP19A1NPSR1KIF11KCNH2KDM4E
SCHEMBL10192161 0.92 KIF11 (0.42) CYP19A1NPSR1KIF11KCNH2KDM4E
SCHEMBL644946 0.90 ACP1 (0.44) NPSR1KIF11KCNH2KDM4EALDH1A1
SCHEMBL10192171 0.90 ACP1 (0.44) NPSR1KIF11KCNH2KDM4EALDH1A1
SCHEMBL12735768 0.90 KIF11 (0.37) KIF11KCNH2KDM4EALDH1A1USP2
SCHEMBL10192166 0.89 KCNH2 (0.41) CYP19A1NPSR1KIF11KCNH2KDM4E
SCHEMBL644015 0.89 KIF11 (0.51) CYP19A1NPSR1KIF11KCNH2KDM4E
SCHEMBL647515 0.89 KCNH2 (0.41) CYP19A1NPSR1KIF11KCNH2KDM4E
SCHEMBL646487 0.87 KIF11 (0.39) CYP19A1NPSR1KIF11KCNH2KDM4E
SCHEMBL644102 0.86 CYP19A1 (0.43) CYP19A1NPSR1KIF11KCNH2KDM4E

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 31 patents — showing the first 20. 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-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-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-8119678-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2012-02-21 US disclosed
US-7491746-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 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
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
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 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 CYP19A1 996/4885NPSR1 2864/4885KIF11 525/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 CYP19A1 1866/4885NPSR1 4626/4885KIF11 20/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CYP19A1 857/4885NPSR1 3785/4885KIF11 824/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CYP19A1 857/4885NPSR1 3785/4885KIF11 824/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CYP19A1 857/4885NPSR1 3785/4885KIF11 824/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CYP19A1 857/4885NPSR1 3785/4885KIF11 824/4885

“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.