SCHEMBL1890775

SCHEMBL1890775

CN(C)C(=O)C(NCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.46
MAP1LC3B Q9GZQ8 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46
PDE6D O43924 3/20 0.40
ADORA3 P0DMS8 5/20 0.40
BRD4 O60885 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 0.87 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5650348 0.87 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL14264476 0.84 KIF11 (0.50) KIF11BRD4
SCHEMBL1892376 0.83 KIF11 (0.60) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5523051 0.82 KIF11 (0.49) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5517277 0.82 KIF11 (0.49) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5532768 0.82 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4878429 0.82 KIF11 (0.46) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4761207 0.80 KIF11 (0.47) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5757846 0.79 KIF11 (0.59) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689724-B1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS NOVARTIS AG (CH) 2011-12-21 EP disclosed
EP-1689724-B1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS NOVARTIS AG (CH) 2011-12-21 EP disclosed
US-20110190293-A1 Quinazolinone Compounds as Anticancer Agents CHIRON CORPORATION 2011-08-04 US disclosed
US-20110190293-A1 Quinazolinone Compounds as Anticancer Agents CHIRON CORPORATION 2011-08-04 US disclosed
US-7939539-B2 Kinesin spindle protein (KSP) inhibitors; 2-substituted 4-(thio)oxo-3,4-dihydroquinazolines; use in combination with other anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-05-10 US disclosed
US-7939539-B2 Kinesin spindle protein (KSP) inhibitors; 2-substituted 4-(thio)oxo-3,4-dihydroquinazolines; use in combination with other anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-05-10 US disclosed
EP-1689724-A1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS Chiron Corporation (US) 2006-08-16 EP disclosed
US-20050209254-A1 Quinazolinone compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-09-22 US disclosed
WO-2005051922-A1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2005-06-09 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-20110190293-A1 Quinazolinone Compounds as Anticancer Agents TP53, NQO2, TOP1 KIF11 2740/4885MAP1LC3B 1121/4885CYP3A4 404/4885
US-20050209254-A1 Quinazolinone compounds as anticancer agents TP53, NQO2, TOP1 KIF11 2740/4885MAP1LC3B 1121/4885CYP3A4 404/4885

“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.