SCHEMBL1886208

SCHEMBL1886208

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.61
CYP2C19 P33261 2/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.45
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 3/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1G O43497 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1882393 0.92 KIF11 (0.65) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1893466 0.87 KIF11 (0.56) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1902045 0.86 KIF11 (0.56) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1885255 0.83 KIF11 (0.64) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1883068 0.83 KIF11 (0.51) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1889094 0.82 KIF11 (0.54) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1887243 0.81 KIF11 (0.51) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1890476 0.80 KIF11 (0.66) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL12386697 0.80 KIF11 (0.79) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL5756294 0.78 KIF11 (0.70) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2

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 10 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
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
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 2740/4885CYP2C19 162/4885MAP1LC3B 1121/4885
US-20050209254-A1 Quinazolinone compounds as anticancer agents TP53, NQO2, TOP1 KIF11 2740/4885CYP2C19 162/4885MAP1LC3B 1121/4885

“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.