SCHEMBL3841789

SCHEMBL3841789

CCOC(=O)CNc1ccc(OC)nc1NCCN1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.42
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
DRD2 P14416 5/20 0.37
DRD3 P35462 2/20 0.37
CCR5 P51681 1/20 0.37
USP14 P54578 1/20 0.37
MERTK Q12866 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
KCNH2 Q12809 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
FGFR4 P22455 1/20 0.35

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
SCHEMBL4775891 0.90 KCNA3 (0.47) KCNA3CKS1BSKP1SKP2DRD2
SCHEMBL19707058 0.87 CRHR1 (0.39) CKS1BSKP1SKP2DRD2DRD3
SCHEMBL20995966 0.85 BTK (0.42) CKS1BSKP1SKP2DRD2MERTK
SCHEMBL3787002 0.81 BRD4 (0.42)
SCHEMBL3407462 0.79 STK17B (0.46)
SCHEMBL1725407 0.79 ALDH1A1 (0.48) LMNATHRB
SCHEMBL3015803 0.75 PIK3CA (0.34) CKS1BSKP1SKP2AAK1JAK2
SCHEMBL19692418 0.73 NOS2 (0.42) LMNA
SCHEMBL15297748 0.72 KCNA3 (0.54) KCNA3CKS1BSKP1SKP2DRD2
SCHEMBL19706830 0.72 ALOX15 (0.46) MERTKLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNA3 1771/4885CKS1B 3629/4885SKP1 3403/4885

“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.