SCHEMBL6722845

SCHEMBL6722845

COc1cc(-c2ncnc(OC)c2C=O)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 3/20 0.35
KIT P10721 5/20 0.35
SCN9A Q15858 5/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
PTGS2 P35354 2/20 0.33
PPOX P50336 1/20 0.33
PTGS1 P23219 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL6718592 0.83 KDR (0.39) KDREGFRKITPPOXHSP90AA1
SCHEMBL6715943 0.78 HSP90AB1 (0.40) KDREGFRKITEIF2AK3HSP90AA1
SCHEMBL6719990 0.76 EGFR (0.39) KDRALDH1A1GAAEGFRKIT
SCHEMBL6727273 0.75 EGFR (0.39) KDREGFRKITPPOXHSP90AA1
SCHEMBL6719116 0.72 KCNH2 (0.37) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6716002 0.72 EGFR (0.37) KDREGFRKITPPOXHSP90AA1
SCHEMBL6715765 0.72 KCNH2 (0.39) KDREGFRKITHSP90AA1HSP90AB1
SCHEMBL6718722 0.71 EGFR (0.36) KDREGFRKITSCN9AHSP90AA1
SCHEMBL1478136 0.69 PDPK1 (0.39) ALDH1A1
SCHEMBL7681163 0.69 HSP90AA1 (0.39) ALDH1A1GAAEGFRPPOXHSP90AA1

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 2164/4885ALDH1A1 83/4885GAA 3578/4885

“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.