SCHEMBL1803397

SCHEMBL1803397

C#CCN1C(=O)C(F)(F)Oc2cc(F)c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc21

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 15/20 0.41
BCAT2 O15382 13/20 0.41

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
SCHEMBL20692958 0.90 BCAT1 (0.40) BCAT1BCAT2
SCHEMBL20680546 0.88 BCAT1 (0.39) BCAT1BCAT2
SCHEMBL30798898 0.88 BCAT1 (0.39) BCAT1BCAT2
SCHEMBL12168470 0.86 SMN1; SMN2 (0.32) BCAT1
SCHEMBL20591013 0.83
SCHEMBL12188289 0.83 BCAT1 (0.46) BCAT1BCAT2
SCHEMBL9427475 0.82 BCAT1 (0.41) BCAT1BCAT2
SCHEMBL17891282 0.81
SCHEMBL30704863 0.81 BCAT1 (0.39) BCAT1BCAT2
SCHEMBL30704866 0.81 BCAT1 (0.39) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748348-B2 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-pyrimidin-2,4-dione compounds as herbicides BASF SE (DE) 2014-06-10 US disclosed
US-8748348-B2 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-pyrimidin-2,4-dione compounds as herbicides BASF SE (DE) 2014-06-10 US disclosed
US-20130345054-A1 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-Pyrimidin-2,4-dione compounds as herbicides BASF SE (DE) 2013-12-26 US disclosed
EP-2499136-B1 3-(3,4-DIHYDRO-2H-BENZO[1,4]OXAZIN-6-YL)-1H-PYRIMIDIN-2,4-DIONE COMPOUNDS AS HERBICIDES BASF SE (DE) 2013-12-04 EP disclosed
US-8481723-B2 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-Pyrimidin-2,4-dione compounds as herbicides BASF SE (DE) 2013-07-09 US disclosed
US-8481723-B2 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-Pyrimidin-2,4-dione compounds as herbicides BASF SE (DE) 2013-07-09 US disclosed
EP-2499136-A1 3-(3,4-DIHYDRO-2H-BENZO [1,4]OXAZIN-6-YL)-1H-PYRIMIDIN-2,4-DIONE COMPOUNDS AS HERBICIDES BASF SE (DE) 2012-09-19 EP disclosed
US-20120231952-A1 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-Pyrimidin-2,4-dione compounds as herbicides BASF SE (DE) 2012-09-13 US disclosed
WO-2011057935-A1 3-(3,4-DIHYDRO-2H-BENZO [1,4]OXAZIN-6-YL)-1H-PYRIMIDIN-2,4-DIONE COMPOUNDS AS HERBICIDES BASF SE (DE) 2011-05-19 WO disclosed
WO-2011057935-A1 3-(3,4-DIHYDRO-2H-BENZO [1,4]OXAZIN-6-YL)-1H-PYRIMIDIN-2,4-DIONE COMPOUNDS AS HERBICIDES BASF SE (DE) 2011-05-19 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 (2 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-20130345054-A1 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-Pyrimidin-2,4-dione compounds as herbicides UNG, DDT, DPYD BCAT1 1440/4885BCAT2 1426/4885
US-20120231952-A1 3-(3,4-dihydro-2H-benzo [1,4]oxazin-6-yl)-1H-Pyrimidin-2,4-dione compounds as herbicides UNG, DDT, DPYD BCAT1 1440/4885BCAT2 1426/4885

“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.