Sugi Predict

Sugi Predict / Compounds / SCHEMBL644766

SCHEMBL644766

SCHEMBL644766

Cc1ccc(C(=O)N(CCCN)C(c2oc3cc(O)ccc3c(=O)c2Cc2cccc(C#N)c2)C(C)C)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.59
▸ KCNH2 Q12809 2/20 0.59
▸ MAP1LC3B Q9GZQ8 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ACP1 P24666 3/20 0.34
▸ HSD17B3 P37058 2/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ KIF23 Q02241 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ MAP1LC3A Q9H492 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ AR P10275 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL646934 0.96 KIF11 (0.60) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645343 0.95 KIF11 (0.59) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL643695 0.93 KIF11 (0.69) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644147 0.92 KIF11 (0.56) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644347 0.90 KIF11 (0.71) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL4775734 0.90 KIF11 (0.48) KIF11KCNH2MAP1LC3BACP1HSD17B3
SCHEMBL645780 0.90 KIF11 (0.56) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL646350 0.88 KIF11 (0.59) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL644551 0.88 KIF11 (0.68) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19
SCHEMBL645862 0.87 KIF11 (0.71) KIF11KCNH2MAP1LC3BCYP3A4CYP2C19

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 22 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
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-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
EP-1511734-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-05-10 — — EP 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
EP-1511734-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-09 — — EP disclosed
US-20040082638-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2004-04-29 — — US disclosed
WO-2003088903-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-10-30 — — WO 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 (8 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 3954/4885MAP1LC3B 1728/4885
US-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 KIF11 20/4885KCNH2 955/4885MAP1LC3B 462/4885
US-20040082638-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAP1LC3B 1516/4885
US-20090005580-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAP1LC3B 1516/4885
US-20110230550-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAP1LC3B 1516/4885
US-20120209012-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAP1LC3B 1516/4885
US-20130053436-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAP1LC3B 1516/4885
US-20100105767-A1 COMPOUNDS, COMPOSITIONS AND METHODS ALPP, PCNA, MKI67 KIF11 824/4885KCNH2 2582/4885MAP1LC3B 1516/4885

“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.