SCHEMBL4303215

SCHEMBL4303215

COc1ccc2ccc(=O)n(CC=O)c2c1.COc1ccc2ccc(=O)n(CCN3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.49
KCNA3 P22001 1/20 0.43
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
MCHR1 Q99705 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL6369193 0.94 KCNH2 (0.54) KCNH2KCNA3PIK3CAMTORPRKDC
SCHEMBL11999871 0.83 KCNA3 (0.48) KCNH2KCNA3DRD2DRD3ATM
SCHEMBL922760 0.82 KCNH2 (0.58) KCNH2MCHR1
SCHEMBL706366 0.82 MTNR1A (0.51) KCNH2KCNA3PIK3CAMTORPRKDC
SCHEMBL10285563 0.81 KCNH2 (0.58) KCNH2
SCHEMBL3856834 0.80 KCNH2 (0.64) KCNH2
SCHEMBL21197944 0.80 KCNH2 (0.57) KCNH2KCNA3DRD2
SCHEMBL13234465 0.78 KCNH2 (0.46) KCNH2KCNA3PIK3CAMTORPRKDC
SCHEMBL10313824 0.78 KCNA3 (0.47) KCNH2KCNA3DRD2DRD3ATM
SCHEMBL1422362 0.78 PIK3CA (0.45) KCNH2PIK3CAMTORPRKDCDRD2

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 KCNH2 2142/4885KCNA3 1771/4885PIK3CA 2470/4885

“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.