SCHEMBL407269

SCHEMBL407269

FC(F)(F)c1ccc2nncnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.42
BACE1 P56817 1/20 0.41
PARP1 P09874 1/20 0.40
EPHX2 P34913 1/20 0.39
SCN4A P35499 1/20 0.39
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
NPBWR1 P48145 2/20 0.36
EGFR P00533 3/20 0.36
GAK O14976 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL22292163 0.82 SCN10A (0.38) PKMEGFRGAKTSHR
SCHEMBL12502189 0.75 NOS3 (0.52) KDM4EPKMBACE1PARP1EPHX2
SCHEMBL29550395 0.75 NOS3 (0.52) KDM4EPKMBACE1PARP1EPHX2
SCHEMBL8400256 0.74 SCN10A (0.38) PKMEGFRGAKTSHR
Methane SCHEMBL28257040 0.74 NOS3 (0.50) KDM4EPKMBACE1PARP1EPHX2
SCHEMBL28128190 0.68 EGFR (0.55) KDM4EBACE1PARP1EGFR
SCHEMBL16241811 0.68 PKM (0.45) KDM4EPKMBACE1PARP1EPHX2
SCHEMBL27782831 0.68 EGFR (0.55) KDM4EBACE1EPHX2SCN4AEGFR
SCHEMBL407903 0.68 KDM4E (0.43) KDM4EPKMBACE1PARP1EPHX2
SCHEMBL30056467 0.68 EGFR (0.55) KDM4EBACE1EPHX2SCN4AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KDM4E 1092/4885PKM 2307/4885BACE1 1901/4885

“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.