SCHEMBL5650348

SCHEMBL5650348

CC(C)[C@@H](NCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.48
CYP3A4 P08684 2/20 0.48
MAP1LC3B Q9GZQ8 2/20 0.48
CYP2C19 P33261 1/20 0.48
KCNH2 Q12809 1/20 0.48
BRD4 O60885 1/20 0.42
ADORA3 P0DMS8 5/20 0.41
PDE6D O43924 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL5647214 1.00 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5523051 0.95 KIF11 (0.49) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5517277 0.95 KIF11 (0.49) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4102093 0.90 KIF11 (0.46) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4513091 0.88 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5648475 0.88 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5649327 0.88 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5646819 0.88 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL1890775 0.87 KIF11 (0.46) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5107451 0.86 KIF11 (0.47) KIF11CYP3A4KCNH2BRD4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161002-B2 Syntheses of quinazolinones CYTOKINETICS, INC. (US) 2007-01-09 US disclosed
US-7009049-B2 Syntheses of quinazolinones CYTOKINETICS, INC. (US) 2006-03-07 US disclosed
US-20060041130-A1 Syntheses of quinazolinones CYTOKINETICS, INC. AND SMITHKLINE BEECHAM CORP. 2006-02-23 US disclosed
EP-1480980-A4 SYNTHESES OF QUINAZOLINONES CYTOKINETICS INC (US) 2005-04-20 EP disclosed
EP-1480980-A2 SYNTHESES OF QUINAZOLINONES Cytokinetics, Inc. (US) 2004-12-01 EP disclosed
US-20040067969-A1 Syntheses of quinazolinones CYTOKINETICS, INCORPORATED 2004-04-08 US disclosed
WO-2003070701-A2 SYNTHESES OF QUINAZOLINONES CYTOKINETICS, INC. (US) 2003-08-28 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 (2 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-20040067969-A1 Syntheses of quinazolinones NDUFS3, NDUFS2, NQO2 KIF11 1865/4885CYP3A4 32/4885MAP1LC3B 544/4885
US-20060041130-A1 Syntheses of quinazolinones NDUFS3, NDUFS2, NQO2 KIF11 1865/4885CYP3A4 32/4885MAP1LC3B 544/4885

“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.