SCHEMBL16670698

SCHEMBL16670698

FC(F)(F)c1ccc2nc(I)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
BACE1 P56817 1/20 0.42
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
PDE10A Q9Y233 1/20 0.40
METAP2 P50579 1/20 0.39
PARP1 P09874 1/20 0.38
NPBWR1 P48145 2/20 0.37
DHFR P00374 1/20 0.37
PKM P14618 1/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MET P08581 1/20 0.36
MAOB P27338 1/20 0.36
CBFB Q13951 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 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
SCHEMBL10849169 0.79 KDM4E (0.59) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL20033417 0.79 KDM4E (0.50) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL3656007 0.79 KDM4E (0.50) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL5679852 0.79 BACE1 (0.59) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL29639042 0.79 KDM4E (0.50) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL13356634 0.75 BACE1 (0.46) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL23190280 0.75 NOS1 (0.35) KDM4EPARP1
SCHEMBL27870455 0.75 KDM4E (0.46) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL13356605 0.74 BACE1 (0.62) KDM4EBACE1EPHX2SCN4APDE10A
SCHEMBL22346775 0.73 ALDH1A1 (0.56) KDM4EDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
US-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed
EP-3060557-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT Bayer CropScience Aktiengesellschaft (DE) 2016-08-31 EP disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 US disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 US disclosed
US-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BRETSCHNEIDER, NIKLAS TIM (DE) 2016-08-11 US disclosed
WO-2015059088-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BAYER CROPSCIENCE AG (DE) 2015-04-30 WO disclosed
WO-2015059088-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT BAYER CROPSCIENCE AG (DE) 2015-04-30 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-20160227779-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT CHRM1, CHRM2, ACHE KDM4E 1076/4885BACE1 4321/4885EPHX2 230/4885

“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.