SCHEMBL6107899

SCHEMBL6107899

Oc1nc2ccc(C(F)(F)F)cc2nc1O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
BACE1 P56817 1/20 0.47
EPHX2 P34913 1/20 0.44
SCN4A P35499 1/20 0.44
PKM P14618 1/20 0.44
DGAT1 O75907 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPBWR1 P48145 1/20 0.40
DYRK1A Q13627 2/20 0.40
METAP2 P50579 1/20 0.39
KIF11 P52732 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL12355859 0.83 KDM4E (0.66) KDM4EBACE1EPHX2SCN4APKM
SCHEMBL12355858 0.83 KDM4E (0.66) KDM4EBACE1EPHX2SCN4APKM
SCHEMBL11809163 0.81 KDM4E (0.63) KDM4EBACE1EPHX2SCN4APKM
SCHEMBL13641613 0.81 KDM4E (0.63) KDM4EBACE1EPHX2SCN4ADGAT1
SCHEMBL30829253 0.79 KDM4E (0.53) KDM4EBACE1EPHX2SCN4APKM
SCHEMBL437476 0.79 KDM4E (0.61) KDM4EBACE1EPHX2SCN4APKM
SCHEMBL5160237 0.78 KDM4E (0.59) KDM4EBACE1EPHX2SCN4APKM
SCHEMBL12340102 0.78 KDM4E (0.59) KDM4EBACE1EPHX2SCN4ADGAT1
SCHEMBL29187262 0.77 KDM4E (0.50) KDM4EBACE1EPHX2SCN4APKM
SCHEMBL10849169 0.77 KDM4E (0.59) KDM4EBACE1EPHX2SCN4APKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081346-B2 Method of screening binding of a compound to a receptor MARQUETTE UNIVERSITY (US) 2006-07-25 US disclosed
US-20030215959-A1 Method of screening binding of a compound to a receptor MARQUETTE UNIVERSITY 2003-11-20 US disclosed
EP-0260467-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1993-12-29 EP disclosed
US-4812458-A 6,7-disubstituted-2,3-dihydroxyquinoxaline compounds, pharmaceutical compositions thereof, and their use as neuroleptics A/S FERROSAN (DK) 1989-03-14 US disclosed
EP-0260467-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-03-23 EP disclosed
US-4200748-A ANXIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-04-29 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-20030215959-A1 Method of screening binding of a compound to a receptor FSHR, GRB7, GPR174 KDM4E 4645/4885BACE1 4521/4885EPHX2 3411/4885

“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.