SCHEMBL6718231

SCHEMBL6718231

CCS(=O)(=O)Nc1cc(-c2ncnc(OC)c2Cl)c(F)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.40
PGR P06401 3/20 0.37
PIK3CD O00329 1/20 0.37
EGFR P00533 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
BRD4 O60885 1/20 0.36
KIT P10721 4/20 0.36
APLNR P35414 3/20 0.35
SCN9A Q15858 1/20 0.34
SLC22A12 Q96S37 4/20 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
SCHEMBL6719193 0.89 PGR (0.38) BRAFPGRPIK3CDEGFRPIK3CA
SCHEMBL6718560 0.88 PGR (0.40) PGRBRD4KITSLC22A12
SCHEMBL6719197 0.87 PGR (0.39) BRAFPGRBRD4KITSLC22A12
SCHEMBL6720421 0.87 PGR (0.39) PGRBRD4KITSLC22A12
SCHEMBL6715801 0.86 KIT (0.38) BRAFPGRPIK3CDEGFRPIK3CA
SCHEMBL6716009 0.85 PGR (0.38) PGRPIK3CDEGFRPIK3CAPIK3CB
SCHEMBL6719080 0.85 PGR (0.38) PGRBRD4KITSLC22A12
SCHEMBL6718645 0.84 PGR (0.37) BRAFPGRBRD4KITSLC22A12
SCHEMBL6831039 0.84 PGR (0.37) PGRBRD4KITSLC22A12
SCHEMBL6722813 0.84 PGR (0.37) PGRBRD4KITSLC22A12

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 BRAF 1689/4885PGR 3190/4885PIK3CD 2114/4885

“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.