SCHEMBL29779349

SCHEMBL29779349

N#Cc1ccc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1F

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.62
BCAT2 O15382 18/20 0.62

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
SCHEMBL24826936 1.00 BCAT1 (0.62) BCAT1BCAT2
SCHEMBL8188639 0.86 BCAT2 (0.61) BCAT1BCAT2
SCHEMBL1573401 0.84 BCAT2 (0.58) BCAT1BCAT2
SCHEMBL7038819 0.83 BCAT1 (0.72) BCAT1BCAT2
SCHEMBL7033756 0.82 BCAT2 (0.57) BCAT1BCAT2
SCHEMBL5922790 0.81 BCAT1 (0.67) BCAT1BCAT2
SCHEMBL6815503 0.79 BCAT1 (0.54) BCAT1BCAT2
SCHEMBL7959029 0.79 BCAT1 (0.59) BCAT1BCAT2
SCHEMBL24824865 0.78 BCAT1 (0.66) BCAT1BCAT2
SCHEMBL23195042 0.78 BCAT1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 US disclosed
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP 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-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES DPYD, TYMP, TYMS BCAT1 2999/4885BCAT2 3754/4885

“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.