Sugi Predict

Sugi Predict / Compounds / SCHEMBL644102

SCHEMBL644102

SCHEMBL644102

COc1ccc2c(=O)c(Cc3ccccc3)c(C(C(C)C)N3CCN=C3c3ccc(C)cc3)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 5/20 0.43
▸ KIF11 P52732 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HTR1A P08908 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL645511 0.90 CYP19A1 (0.40) CYP19A1KIF11KCNH2NPSR1HTR1A
SCHEMBL645471 0.90 MAOB (0.40) CYP19A1KIF11KCNH2NPSR1HTR1A
SCHEMBL644779 0.89 KIF11 (0.54) CYP19A1KIF11KCNH2NPSR1HTR1A
SCHEMBL644181 0.89 KCNH2 (0.43) CYP19A1KIF11KCNH2NPSR1KDM4E
SCHEMBL644775 0.89 KCNH2 (0.39) CYP19A1KIF11KCNH2NPSR1KDM4E
SCHEMBL644257 0.89 KIF11 (0.45) CYP19A1KIF11KCNH2NPSR1HTR1A
SCHEMBL644184 0.89 CYP1A2 (0.45) CYP19A1KCNH2NPSR1HTR1AHTR7
SCHEMBL646466 0.87 KIF11 (0.42) CYP19A1KIF11KCNH2NPSR1KDM4E
SCHEMBL12735763 0.86 CYP19A1 (0.42) CYP19A1KIF11KCNH2NPSR1HTR1A
SCHEMBL646807 0.86 CYP19A1 (0.42) CYP19A1KIF11KCNH2NPSR1HTR1A

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 19 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
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-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 — — 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-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 (7 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-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 CYP19A1 1866/4885KIF11 20/4885KCNH2 955/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CYP19A1 857/4885KIF11 824/4885KCNH2 2582/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 CYP19A1 857/4885KIF11 824/4885KCNH2 2582/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CYP19A1 857/4885KIF11 824/4885KCNH2 2582/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CYP19A1 857/4885KIF11 824/4885KCNH2 2582/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CYP19A1 857/4885KIF11 824/4885KCNH2 2582/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 CYP19A1 857/4885KIF11 824/4885KCNH2 2582/4885

“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.