SCHEMBL4294512

SCHEMBL4294512

O=c1sc2ncc(F)cc2n1CCN1CC[CH]CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 3/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 2/20 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
SCHEMBL27773493 0.75 KCNH2 (0.56) KCNH2
SCHEMBL4299957 0.73 SHMT2 (0.31)
SCHEMBL4299490 0.72 SHMT2 (0.41)
SCHEMBL4776915 0.70 KCNH2 (0.47) KCNH2
SCHEMBL4777392 0.67 KCNH2 (0.38) KCNH2
SCHEMBL14020817 0.64 KCNH2 (0.58) GRIN1GRIN2BKCNH2
SCHEMBL4771515 0.64 ALDH1A1 (0.37) GRIN1GRIN2BKCNH2
SCHEMBL4770655 0.60 KCNH2 (0.41) KCNH2
SCHEMBL2685561 0.60 KCNH2 (0.61) KCNH2
SCHEMBL27878080 0.60 KCNH2 (0.43) KCNH2

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 3 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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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 GRIN1 3460/4885GRIN2B 3307/4885TMEM97 3780/4885

“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.