SCHEMBL1885255

SCHEMBL1885255

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.64
CYP2C19 P33261 2/20 0.48
MAP1LC3B Q9GZQ8 2/20 0.48
CYP3A4 P08684 1/20 0.48
KCNH2 Q12809 1/20 0.48
PDE6D O43924 2/20 0.37
CACNA1G O43497 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TBXA2R P21731 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
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
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL1885976 0.93 KIF11 (0.56) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1883597 0.93 KIF11 (0.57) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1882393 0.87 KIF11 (0.65) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1885977 0.86 KIF11 (0.66) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1886208 0.83 KIF11 (0.61) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1902045 0.81 KIF11 (0.56) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL1893466 0.81 KIF11 (0.56) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL5756294 0.81 KIF11 (0.70) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
SCHEMBL5760697 0.79 KIF11 (0.83) KIF11CYP2C19MAP1LC3BCYP3A4KCNH2
Ck0106023 SCHEMBL12393608 0.78 KIF11 (1.00) 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 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 2740/4885CYP2C19 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.