SCHEMBL7653459

SCHEMBL7653459

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(NC(=O)C(F)(F)F)c(C#N)cc2F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.35
BCAT1 P54687 7/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
AR P10275 5/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7212890 0.83 PGR (0.39) BCAT2BCAT1AR
SCHEMBL8323113 0.82 PGR (0.35) BCAT2BCAT1AR
SCHEMBL8853791 0.82 BCAT2 (0.35) BCAT2BCAT1
SCHEMBL8193759 0.82 BCAT2 (0.40) BCAT2BCAT1AR
SCHEMBL6743751 0.82 BCAT2 (0.38) BCAT2BCAT1AR
SCHEMBL9469470 0.80 BCAT2 (0.39) BCAT2BCAT1GAAARMAPT
SCHEMBL5848585 0.80 BCAT1 (0.43) BCAT2BCAT1
SCHEMBL8466083 0.80 BCAT2 (0.34) BCAT2BCAT1
SCHEMBL3901986 0.79 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL8853375 0.79 JAK2 (0.33) BCAT2BCAT1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455697-B2 Substituted phenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
US-6437126-B1 HERBICIDES; REACTING 1-(4-CYANO-2-FLUORO-5-FORMYL-PHENYL) -3,6-DIHYDRO-2,6-DIOXO-3-METHYL-4-TRIFLUOROMETHYL-1(2H)-PYRIMIDINE WITH METHYOXYAMINE, AN AMINE, MERCAPTAN, OR AN ALCOHOL BAYER AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
US-6251828-B1 HERBICIDE FOR TOTAL CONTROL OF WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-20010003732-A1 1-(4-cyano-2-fluoro-5-(2-chloro-2-methoxycarbonylethyl) -phenyl)-3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1-(2H)-pyrimidine, for example; use as herbicides; chemical intermediates and method of synthesis ANDREE ROLAND (DE) 2001-06-14 US disclosed
US-6245714-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 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-20010003732-A1 1-(4-cyano-2-fluoro-5-(2-chloro-2-methoxycarbonylethyl) -phenyl)-3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1-(2H)-pyrimidine, for example; use as herbicides; chemical intermediates and method of synthesis DDT, DPYD, DHFR BCAT2 625/4885BCAT1 775/4885GAA 2169/4885

“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.