SCHEMBL716704

SCHEMBL716704

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc(N)c1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CFTR P13569 1/20 0.42
IKBKB O14920 1/20 0.41
CISD2 Q8N5K1 1/20 0.41
DPP4 P27487 1/20 0.40
PLAU P00749 1/20 0.39
TPH1 P17752 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
SCN9A Q15858 3/20 0.39
FPR2 P25090 2/20 0.39
MAPT P10636 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL720166 0.91 ADORA3 (0.44) ADORA3KDM4EKMT2ARAB9AMEN1
SCHEMBL10252200 0.85 KDM4E (0.52) ADORA3KDM4EKMT2ARAB9AMEN1
SCHEMBL718682 0.84 ADORA3 (0.43) ADORA3KDM4EKMT2ARAB9AMEN1
SCHEMBL718687 0.83 RAB9A (0.45) ADORA3KDM4EKMT2ARAB9AMEN1
SCHEMBL720879 0.82 DPP4 (0.47) ADORA3KDM4EKMT2AMEN1NPC1
SCHEMBL719375 0.81 ADORA3 (0.41) ADORA3KDM4EKMT2AMEN1ALDH1A1
SCHEMBL719622 0.80 DPP4 (0.46) ADORA3KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL718191 0.80 ADORA3 (0.40) ADORA3KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL10286724 0.80 ADORA3 (0.40) ADORA3KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL718190 0.80 ADORA3 (0.40) ADORA3KDM4EALDH1A1PKMSMN1; SMN2

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 ADORA3 445/4885KDM4E 2202/4885KMT2A 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.