SCHEMBL3095797

SCHEMBL3095797

Cn1c(=O)ccc2ncc(Cl)c(CCN3CC[C@@H](NC(=O)C(F)(F)F)C3)c21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 8/20 0.40
SSTR1 P30872 4/20 0.40
DRD4 P21917 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 1/20 0.38
ENPP2 Q13822 1/20 0.36
SLC2A1 P11166 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHRM4 P08173 1/20 0.34

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
SCHEMBL3090361 1.00 SSTR4 (0.40) SSTR4SSTR1DRD4JAK2JAK1
SCHEMBL3981222 1.00 SSTR4 (0.40) SSTR4SSTR1DRD4JAK2JAK1
SCHEMBL3984347 0.84 KCNH2 (0.39) SSTR1SLC2A1KCNH2
SCHEMBL3107168 0.80 PDE11A (0.31)
SCHEMBL3100022 0.79 PTPN11 (0.35) SLC2A1KCNH2
SCHEMBL3982714 0.79 PTPN11 (0.35) SLC2A1KCNH2
SCHEMBL3102472 0.78 CXCR4 (0.34) SLC2A1KCNH2CHRM4
SCHEMBL3107031 0.78 SPHK1 (0.37) SLC2A1KCNH2
Hydrochloric Acid SCHEMBL3107676 0.77 SLC2A1 (0.38) SLC2A1KCNH2
SCHEMBL3100228 0.76 CDK4 (0.31) SLC2A1KCNH2CHRM4

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 SSTR4 4842/4885SSTR1 4773/4885DRD4 624/4885

“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.