SCHEMBL718682

SCHEMBL718682

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)nc(N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
CFTR P13569 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 3/20 0.41
PKM P14618 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 2/20 0.41
PLAU P00749 1/20 0.40
IKBKB O14920 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
RORC P51449 4/20 0.39
RCE1 Q9Y256 1/20 0.39
FPR2 P25090 1/20 0.39
SCN9A Q15858 1/20 0.39
CISD2 Q8N5K1 1/20 0.39
CASP1 P29466 1/20 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
SCHEMBL719800 0.85 KDM4E (0.56) ADORA3KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL16046835 0.84 KCNH2 (0.42) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10252036 0.84 DHPS (0.47) ADORA3KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL716704 0.84 ADORA3 (0.45) ADORA3CFTRKDM4EPKMALDH1A1
SCHEMBL1535613 0.83 DHPS (0.48) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL720879 0.83 DPP4 (0.47) ADORA3CFTRKDM4EALDH1A1DPP4
SCHEMBL27750202 0.83 KDM4E (0.51) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1478118 0.82 CFTR (0.44) CFTRMAPTPDGFRBKDR
SCHEMBL720166 0.82 ADORA3 (0.44) ADORA3CFTRKDM4EPKMALDH1A1
SCHEMBL719375 0.82 ADORA3 (0.41) ADORA3CFTRKDM4EPKMALDH1A1

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 445/4885CFTR 4034/4885TRPV1 4098/4885

“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.