SCHEMBL5108306

SCHEMBL5108306

Cc1ccc(C(=O)NC(C)(C)CNC(c2nc3nc(Cl)cnc3c(=O)n2Cc2ccccc2)C(C)C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.43
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
KCNE1 P15382 2/20 0.35
KCNQ1 P51787 2/20 0.35
KCNQ5 Q9NR82 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
EGLN1 Q9GZT9 3/20 0.33
LMNA P02545 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
TBXAS1 P24557 1/20 0.33
PTAFR P25105 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PPARG P37231 1/20 0.32
OPRK1 P41145 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5119002 0.83 AAK1 (0.36) KIF11
SCHEMBL4518879 0.83 KIF11 (0.61) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5107354 0.80 KIF11 (0.35) KIF11CYP2C19LMNAMAPT
SCHEMBL5120055 0.70 KIF11 (0.39) KIF11CYP2C19LMNAMAPT
SCHEMBL14301055 0.70 KIF11 (0.34) KIF11CYP3A4CYP2C19
SCHEMBL5754008 0.68 KIF11 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4513091 0.67 KIF11 (0.48) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5112019 0.66 KIF11 (0.43) KIF11CYP3A4MAPT
SCHEMBL4096829 0.65 KIF11 (0.44) KIF11TP53MAPT
SCHEMBL5114521 0.63 PDE4A (0.39) CYP3A4CYP2C19TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA KIF11 427/4885KCNQ3 1932/4885KCNQ2 1674/4885

“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.