SCHEMBL3102472

SCHEMBL3102472

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.34
KCNH2 Q12809 6/20 0.33
SLC2A1 P11166 2/20 0.33
HTR1A P08908 2/20 0.32
HTR1D P28221 2/20 0.32
SLC6A4 P31645 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1B P28222 1/20 0.32
DDR1 Q08345 3/20 0.32
PTPN11 Q06124 1/20 0.32
CHRM4 P08173 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL3107031 0.85 SPHK1 (0.37) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL3100022 0.85 PTPN11 (0.35) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL3982714 0.85 PTPN11 (0.35) KCNH2SLC2A1HTR1AHTR1DSLC6A4
Hydrochloric Acid SCHEMBL3107676 0.84 SLC2A1 (0.38) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL3982792 0.79 KCNH2 (0.37) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL3090361 0.78 SSTR4 (0.40) KCNH2SLC2A1CHRM4
SCHEMBL3095797 0.78 SSTR4 (0.40) KCNH2SLC2A1CHRM4
SCHEMBL3981222 0.78 SSTR4 (0.40) KCNH2SLC2A1CHRM4
SCHEMBL3984347 0.78 KCNH2 (0.39) KCNH2SLC2A1HTR1AHTR1DSLC6A4
SCHEMBL3095458 0.78 SLC2A1 (0.52) KCNH2SLC2A1

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 CXCR4 4063/4885KCNH2 2445/4885SLC2A1 4530/4885

“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.