SCHEMBL6174302

SCHEMBL6174302

N#Cc1cc(F)c(-n2ncc(=O)[nH]c2=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.39
TRPV4 Q9HBA0 1/20 0.36
BCAT2 O15382 5/20 0.33
BCAT1 P54687 5/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
EGLN2 Q96KS0 2/20 0.31
PLAT P00750 1/20 0.31
AR P10275 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
THRB P10828 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
SCHEMBL6175493 0.79 PGR (0.41) MEN1KMT2ANR1I2PGRAR
SCHEMBL6506928 0.78 TRPV4 (0.36) TRPV4BCAT2BCAT1PGRALDH1A1
SCHEMBL8195033 0.76 BCAT2 (0.46) BCAT2BCAT1THRB
SCHEMBL6494272 0.76 BCAT2 (0.38) TRPV4BCAT2BCAT1PGRALDH1A1
SCHEMBL5844322 0.75 CYP11B1 (0.39) MEN1KMT2ATRPV4BCAT2BCAT1
SCHEMBL9125238 0.75 PGR (0.33) TRPV4BCAT2BCAT1PGRALDH1A1
SCHEMBL5841567 0.74 RAB9A (0.42) MEN1KMT2ATRPV4BCAT2BCAT1
SCHEMBL10612189 0.74 L3MBTL1 (0.43) THRB
SCHEMBL7753821 0.73 CYP11B1 (0.41) MEN1KMT2ATRPV4BCAT2BCAT1
SCHEMBL8888915 0.71 HPGD (0.39) MEN1KMT2ATRPV4BCAT2BCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189893-B1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONE BAYER CROPSCIENCE AG (DE) 2005-09-07 EP disclosed
US-6608004-B2 Nitrogen compounds such as 2-(5-(N-phenoxy-carbonyl-N-ethyl-sulphonylamino)-4-cyano-2-fluoro-phenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione, used as postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-08-19 US disclosed
US-20030069140-A1 Substitutes 2-aryl-1,2,4-triazine-3,5-di(thi)one BAYER AKTIENGESELLSCHAFT (DE) 2003-04-10 US disclosed
EP-1189893-A2 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONE Bayer Aktiengesellschaft (DE) 2002-03-27 EP disclosed
WO-2000075119-A2 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES USED AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed
WO-2000043375-A2 SUBSTITUTED ARYL HETEROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-27 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 (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-20030069140-A1 Substitutes 2-aryl-1,2,4-triazine-3,5-di(thi)one DDT, SULT1E1, CYP1A1 MEN1 3213/4885KMT2A 1064/4885NR1I2 343/4885

“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.