SCHEMBL4302247

SCHEMBL4302247

CC(C)(C)OC(=O)NC1CCN(CCn2c(=O)cc(C#N)c3ccc(F)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
KCNH2 Q12809 3/20 0.45
NSD2 O96028 1/20 0.44
AAK1 Q2M2I8 2/20 0.43
DRD2 P14416 1/20 0.42
DPP4 P27487 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
RET P07949 1/20 0.40
PLK1 P53350 1/20 0.40
BRD4 O60885 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
CNR2 P34972 1/20 0.39
NPY5R Q15761 1/20 0.39
CTSK P43235 2/20 0.39

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
SCHEMBL4302199 0.87 KCNH2 (0.47) KCNH2DRD2CNR2
SCHEMBL4779531 0.86 KCNA3 (0.44) KCNA3KCNH2DRD2PLK1BRD4
SCHEMBL3859391 0.83 KCNA3 (0.42) KCNA3KCNH2DRD2PLK1BRD4
SCHEMBL3843908 0.82 KCNA3 (0.43) KCNA3DRD2PARP1PARP2PLK1
SCHEMBL12002142 0.80 KCNH2 (0.49) KCNA3KCNH2NPY5R
SCHEMBL923934 0.79 KCNH2 (0.51) KCNH2CNR2
Hydrochloric Acid SCHEMBL3840015 0.78 KCNH2 (0.42) KCNH2DRD2DPP4
SCHEMBL21197944 0.77 KCNH2 (0.57) KCNA3KCNH2AAK1DRD2KDM4D
SCHEMBL4300063 0.77 CNR2 (0.48) KCNH2DRD2CNR2
SCHEMBL5021645 0.77 KCNH2 (0.55) KCNA3KCNH2

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 2 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

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 1771/4885KCNH2 2142/4885NSD2 552/4885

“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.