SCHEMBL1888841

SCHEMBL1888841

CCN(CC)C(=O)C(c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.68
MAP1LC3B Q9GZQ8 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C19 P33261 1/20 0.67
KCNH2 Q12809 1/20 0.67

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
SCHEMBL1887288 0.93 KIF11 (0.69) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1884285 0.93 KIF11 (0.77) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5757998 0.92 KIF11 (0.70) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1885960 0.89 KIF11 (0.72) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL12386723 0.88 KIF11 (0.68) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1882227 0.88 KIF11 (0.75) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1888619 0.87 KIF11 (0.63) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1886518 0.87 KIF11 (0.78) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5758258 0.86 KIF11 (0.83) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5760697 0.86 KIF11 (0.83) 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 14 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 claimed
US-20110190293-A1 Quinazolinone Compounds as Anticancer Agents CHIRON CORPORATION 2011-08-04 US claimed
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 claimed
EP-1689724-A1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS Chiron Corporation (US) 2006-08-16 EP claimed
US-20050209254-A1 Quinazolinone compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-09-22 US claimed
WO-2005051922-A1 QUINAZOLINONE COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2005-06-09 WO claimed
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-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
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-20050209254-A1 Quinazolinone compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-09-22 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 (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.