SCHEMBL4513091

SCHEMBL4513091

CC(C)C(NCC(C)(C)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.48
CYP3A4 P08684 2/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
CYP2C9 P11712 1/20 0.40
PTGER1 P34995 1/20 0.40
POLB P06746 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
APP P05067 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL5649327 0.90 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5646819 0.90 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5648475 0.90 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5523051 0.89 KIF11 (0.49) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5517277 0.89 KIF11 (0.49) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5647214 0.88 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5650348 0.88 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4518988 0.84 KIF11 (0.51) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4518879 0.83 KIF11 (0.61) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5533059 0.82 KIF11 (0.53) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 US disclosed
US-20070254870-A1 Compounds, compositions and methods CYTOKINETICS, INC. 2007-11-01 US disclosed
US-7214800-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2007-05-08 US disclosed
US-7208487-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2007-04-24 US disclosed
EP-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1581520-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2006-08-23 EP disclosed
US-20060094735-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-04 US disclosed
US-20060052360-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2006-03-09 US disclosed
EP-1581520-A1 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-05 EP disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
WO-2004055008-A1 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-20040077668-A1 Compounds, compositins, and methods CYTOKINETICS, INC. 2004-04-22 US disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 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 (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-20040077668-A1 Compounds, compositins, and methods CEP170, PSAP, PACSIN2 KIF11 1233/4885CYP3A4 4624/4885MAP1LC3B 1225/4885
US-20060094735-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KIF11 562/4885CYP3A4 4722/4885MAP1LC3B 1330/4885
US-20060052360-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885CYP3A4 4658/4885MAP1LC3B 1516/4885
US-20070254870-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885CYP3A4 4658/4885MAP1LC3B 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.