SCHEMBL719181

SCHEMBL719181

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(N)c1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.36
FEN1 P39748 7/20 0.36
SLC6A3 Q01959 3/20 0.35
TAS1R3 Q7RTX0 5/20 0.34
TAS1R1 Q7RTX1 5/20 0.34
TAS1R2 Q8TE23 4/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
HTR5A P47898 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MEP1B Q16820 1/20 0.34
ACLY P53396 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
SCHEMBL720147 0.87 MEN1 (0.34) ALOX5APFEN1SLC6A3KDM4EPKM
SCHEMBL1115136 0.86 KDM4E (0.39) TAS1R3TAS1R1TAS1R2KDM4EPKM
SCHEMBL30151443 0.86 KDM4E (0.39) TAS1R3TAS1R1TAS1R2KDM4EPKM
SCHEMBL1223170 0.86 KDM4E (0.39) TAS1R3TAS1R1TAS1R2KDM4EPKM
SCHEMBL29769728 0.85 KDM4E (0.38) TAS1R3TAS1R1TAS1R2KDM4EPKM
SCHEMBL679753 0.85 KDM4E (0.38) TAS1R3TAS1R1TAS1R2KDM4EPKM
SCHEMBL719379 0.84 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2KDM4EPKM
SCHEMBL1222941 0.84 MEP1B (0.39) ALOX5APFEN1TAS1R3TAS1R1TAS1R2
SCHEMBL1918080 0.84 KDM4E (0.37) TAS1R3TAS1R1TAS1R2KDM4EPKM
SCHEMBL11027447 0.83 KDM4E (0.37) TAS1R3TAS1R1TAS1R2KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP ALOX5AP 1369/4885FEN1 456/4885SLC6A3 2591/4885

“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.