SCHEMBL3863074

SCHEMBL3863074

C=CCn1c(=O)ccc2ncc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDC7 O00311 1/20 0.38
KCNH2 Q12809 5/20 0.37
PRKDC P78527 1/20 0.36
BRD4 O60885 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
PTGER4 P35408 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34

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
SCHEMBL21197902 0.90 BRD4 (0.40) KDM4EHPGDMEN1KMT2AKCNH2
SCHEMBL3861749 0.88 CDC7 (0.38) CDC7KCNH2BRD4PTGER4CYP3A4
SCHEMBL19212693 0.81 KCNH2 (0.40) CDC7KCNH2BRD4CYP3A4
SCHEMBL27780775 0.80 KCNH2 (0.43) CDC7KCNH2PTGER4CYP3A4
SCHEMBL2687942 0.80 KCNH2 (0.41) KDM4EHPGDKCNH2ALDH1A1TDP1
SCHEMBL4297734 0.78 KDM4E (0.41) KDM4EHPGDMEN1KMT2AKCNH2
SCHEMBL2799933 0.77 BRD4 (0.40) KDM4EHPGDKCNH2BRD4ALDH1A1
SCHEMBL3839367 0.76 MGAM (0.39) KDM4EHPGDMEN1KMT2APTGER4
SCHEMBL2686880 0.76 KCNH2 (0.47) KCNH2
SCHEMBL4137613 0.76 KCNH2 (0.39) KDM4ECDC7KCNH2ALDH1A1CYP3A4

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 5 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-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO 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.