SCHEMBL720147

SCHEMBL720147

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A3 Q01959 4/20 0.33
ALOX5AP P20292 4/20 0.33
FEN1 P39748 4/20 0.33
PKM P14618 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RCE1 Q9Y256 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL719181 0.87 ALOX5AP (0.36) SLC6A3ALOX5APFEN1PKMKDM4E
SCHEMBL116281 0.86 KDM4E (0.36) MEN1GAAKMT2APKMKDM4E
SCHEMBL721102 0.85 KDM4E (0.35) MEN1GAAKMT2APKMKDM4E
SCHEMBL10252352 0.85 KDM4E (0.35) MEN1GAAKMT2APKMKDM4E
SCHEMBL718750 0.81 KDM4E (0.33) MEN1GAAKMT2APKMKDM4E
SCHEMBL119041 0.81 KDM4E (0.33) MEN1GAAKMT2APKMKDM4E
SCHEMBL719369 0.80 KDM4E (0.33) MEN1GAAKMT2APKMKDM4E
SCHEMBL719370 0.80 KDM4E (0.33) MEN1GAAKMT2APKMKDM4E
SCHEMBL720413 0.80 KDM4E (0.33) MEN1GAAKMT2APKMKDM4E
SCHEMBL1397141 0.79 MEP1B (0.37) MEN1GAAKMT2APKMKDM4E

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-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
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP MEN1 4540/4885GAA 993/4885KMT2A 2226/4885

“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.