SCHEMBL1889094

SCHEMBL1889094

CCC(C(=O)O)(c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N(CCCN(C)C)C(=O)c1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.54
MAP1LC3B Q9GZQ8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
EGFR P00533 1/20 0.37
POLR1A O95602 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
APP P05067 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL1887243 0.92 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1882393 0.90 KIF11 (0.65) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1902045 0.89 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1893466 0.87 KIF11 (0.56) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1883068 0.86 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1886208 0.82 KIF11 (0.61) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1890476 0.80 KIF11 (0.66) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5754805 0.78 KIF11 (0.68) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1885255 0.77 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL1888699 0.77 KIF11 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.