SCHEMBL4196668

SCHEMBL4196668

O=C1CNC(c2ccc(F)c(Br)c2)=NN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
ABCC9 O60706 8/20 0.38
ABCC8 Q09428 8/20 0.38
KCNJ11 Q14654 8/20 0.38
KCNJ8 Q15842 8/20 0.38
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KCNH2 Q12809 1/20 0.32
DAPK3 O43293 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL22309145 0.88 PDE3B (0.42) NISCHPDE3BPDE3A
SCHEMBL22309155 0.81 PDE3B (0.47) PDE3BPDE3A
SCHEMBL22308851 0.78 PDE3B (0.54) MEN1KMT2APDE3BPDE3A
SCHEMBL22308341 0.77 MAPT (0.39) MEN1KMT2APDE3BPDE3AKCNH2
SCHEMBL4215079 0.76 MAOB (0.43) ALDH1A1MEN1KMT2AKCNH2NTRK1
SCHEMBL4211464 0.75 PDE3B (0.51) ALDH1A1NISCHMEN1KMT2APDE3B
SCHEMBL10899939 0.74 PGR (0.42)
SCHEMBL11738142 0.74 PDE3B (0.55) PARP1PDE3BPDE3AKCNH2
SCHEMBL22309151 0.72 PDE3B (0.48) PDE3BPDE3A
SCHEMBL22308892 0.72 PDE3B (0.62) ALDH1A1ALOX15MAPK1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 US disclosed
EP-1881966-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2008-01-30 EP disclosed
WO-2006119400-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2006-11-09 WO disclosed
US-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC 2006-11-09 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-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DDT, CYP4B1, CYP4X1 PARP1 4689/4885ABCC9 178/4885ABCC8 155/4885

“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.