SCHEMBL3099059

SCHEMBL3099059

Cn1c(=O)ccc2ncc(C#N)c(CCN3C[C@H](CNC(=O)C(F)(F)F)[C@H](O)C3)c21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.34
KCNH2 Q12809 6/20 0.34
CHRM4 P08173 6/20 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
SCHEMBL3091061 0.88 PDE11A (0.31)
SCHEMBL3107168 0.88 PDE11A (0.31)
SCHEMBL3107588 0.83 KCNH2 (0.34) SLC2A1KCNH2
SCHEMBL3223470 0.83 KCNH2 (0.34) SLC2A1KCNH2
SCHEMBL3273336 0.83 KCNH2 (0.49) SLC2A1KCNH2
SCHEMBL3094469 0.76 KCNH2 (0.57) SLC2A1KCNH2
SCHEMBL3988807 0.76 KCNH2 (0.57) SLC2A1KCNH2
Hydrochloric Acid SCHEMBL3106974 0.76 SLC2A1 (0.37) SLC2A1KCNH2
Hydrochloric Acid SCHEMBL3107696 0.75 KCNH2 (0.56) SLC2A1KCNH2
SCHEMBL3095977 0.74 KCNH2 (0.41) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 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-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 SLC2A1 4530/4885KCNH2 2445/4885CHRM4 3781/4885

“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.