SCHEMBL6718592

SCHEMBL6718592

COc1cc(-c2ncnc(OC)c2Cl)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.39
EGFR P00533 4/20 0.39
KIT P10721 2/20 0.38
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 1/20 0.34
PRKDC P78527 3/20 0.34
EPHB4 P54760 2/20 0.34
ABL1 P00519 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KCNH2 Q12809 4/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6719990 0.87 EGFR (0.39) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6727273 0.86 EGFR (0.39) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6722845 0.83 KDR (0.36) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6715943 0.83 HSP90AB1 (0.40) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6719116 0.82 KCNH2 (0.37) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6715765 0.82 KCNH2 (0.39) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6716002 0.82 EGFR (0.37) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6727171 0.78 TRPA1 (0.43) KITTRPA1
SCHEMBL6718722 0.76 EGFR (0.36) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6719848 0.75 PIN1 (0.34) KITPRKDCKCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092402-A1 Pyrimidine derivatives and herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-05-13 US disclosed
EP-1333029-A1 PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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-20040092402-A1 Pyrimidine derivatives and herbicides containing the same DDX41, CBR3, DPYD KDR 2164/4885EGFR 3745/4885KIT 3365/4885

“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.