SCHEMBL6718645

SCHEMBL6718645

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.37
KIT P10721 4/20 0.36
BRD4 O60885 1/20 0.34
SLC22A12 Q96S37 3/20 0.33
ACLY P53396 1/20 0.32
PSIP1 O75475 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
BRAF P15056 4/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL6718560 0.90 PGR (0.40) PGRKITBRD4SLC22A12ACLY
SCHEMBL6719197 0.87 PGR (0.39) PGRKITBRD4SLC22A12ACLY
SCHEMBL6720421 0.87 PGR (0.39) PGRKITBRD4SLC22A12ACLY
SCHEMBL6716009 0.85 PGR (0.38) PGRKITBRD4SLC22A12ACLY
SCHEMBL6719080 0.85 PGR (0.38) PGRKITBRD4SLC22A12ACLY
SCHEMBL6831039 0.84 PGR (0.37) PGRKITBRD4SLC22A12ACLY
SCHEMBL6718231 0.84 BRAF (0.40) PGRKITBRD4SLC22A12BRAF
SCHEMBL6722813 0.84 PGR (0.37) PGRKITBRD4SLC22A12ACLY
SCHEMBL6715801 0.82 KIT (0.38) PGRKITBRD4SLC22A12BRAF
SCHEMBL6719695 0.80 AR (0.31)

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 PGR 3190/4885KIT 3365/4885BRD4 255/4885

“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.