SCHEMBL3100218

SCHEMBL3100218

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND3 P30281 1/20 0.31
CDK6 Q00534 1/20 0.31
KCNH2 Q12809 1/20 0.30
SLC2A1 P11166 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL3100228 1.00 CDK4 (0.31) CDK4CCND1CCND3CDK6KCNH2
SCHEMBL3104542 0.89 KCNH2 (0.34) KCNH2SLC2A1CHRM4
SCHEMBL3104536 0.89 KCNH2 (0.34) KCNH2SLC2A1CHRM4
SCHEMBL3106752 0.87 OPRM1 (0.35) KCNH2SLC2A1
SCHEMBL3982714 0.82 PTPN11 (0.35) KCNH2SLC2A1
SCHEMBL3100022 0.82 PTPN11 (0.35) KCNH2SLC2A1
SCHEMBL3328907 0.79 KCNH2 (0.39) CDK4CCND1CCND3CDK6KCNH2
SCHEMBL3102152 0.77 DRD4 (0.33) KCNH2
SCHEMBL3984347 0.76 KCNH2 (0.39) KCNH2SLC2A1
SCHEMBL3090361 0.76 SSTR4 (0.40) KCNH2SLC2A1CHRM4

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 CDK4 1446/4885CCND1 1479/4885CCND3 1535/4885

“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.