SCHEMBL4294477

SCHEMBL4294477

O=C(O)NC[C@H]1CNC[C@H]1O.O=Cc1ncc2c(n1)CCCC2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.32
CDK5R1 Q15078 3/20 0.32
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 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
SCHEMBL4296787 0.84 GRM1 (0.30)
SCHEMBL4294432 0.81
SCHEMBL4302995 0.76
SCHEMBL2559593 0.74 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2
SCHEMBL3233892 0.71 GBA1 (0.43)
SCHEMBL3278567 0.71 GBA1 (0.43)
SCHEMBL3279555 0.71 GBA1 (0.43)
SCHEMBL3279547 0.71 GBA1 (0.43)
SCHEMBL3278572 0.71 GBA1 (0.43)
SCHEMBL4294463 0.68 KDM4E (0.32)

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 CDK5 3154/4885CDK5R1 3311/4885CCNA2 2478/4885

“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.