SCHEMBL4297734

SCHEMBL4297734

C=CCn1c(=O)ccc2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN7A Q01118 3/20 0.40
KCNH2 Q12809 4/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
CCR9 P51686 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3353459 0.87 SCN7A (0.41) KDM4EHPGDSCN7AKCNH2MAPK8
SCHEMBL19212781 0.78 KCNH2 (0.45) SCN7AKCNH2MAPK8MAPK9MAPK10
SCHEMBL21197902 0.78 BRD4 (0.40) KDM4EHPGDMEN1KMT2AKCNH2
SCHEMBL3863074 0.78 KDM4E (0.38) KDM4EHPGDMEN1KMT2AKCNH2
SCHEMBL27759451 0.78 KCNH2 (0.47) KDM4ESCN7AKCNH2MAPK8MAPK9
SCHEMBL3862000 0.77 HDAC1 (0.42) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL19212650 0.77 SCN7A (0.48) SCN7AKCNH2MAPK8MAPK9MAPK10
SCHEMBL3777387 0.77 SCN7A (0.48) KDM4EHPGDSCN7AKCNH2MAPK8
SCHEMBL29456187 0.77 SCN7A (0.48) KDM4EHPGDSCN7AKCNH2MAPK8
SCHEMBL29456255 0.75 SCN7A (0.47) KDM4EHPGDMEN1KMT2ASCN7A

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 KDM4E 2078/4885HPGD 302/4885MEN1 3474/4885

“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.