SCHEMBL6729050

SCHEMBL6729050

CCS(=O)(=O)Nc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.37
BRD4 O60885 1/20 0.36
GPR139 Q6DWJ6 2/20 0.34
ACLY P53396 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
AR P10275 2/20 0.32
DHODH Q02127 2/20 0.32
PSIP1 O75475 1/20 0.32
CYP11B2 P19099 1/20 0.31
BRAF P15056 2/20 0.31
S100A9 P06702 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
SCHEMBL6730952 0.88 PPOX (0.37) PGRGPR139ACLYARDHODH
SCHEMBL6729309 0.85 DHODH (0.44) PGRBRD4GPR139SLC22A12AR
SCHEMBL6724485 0.82 GPR139 (0.34) GPR139ARCYP11B2
SCHEMBL6724492 0.81 GPR139 (0.35) GPR139ACLY
SCHEMBL6727299 0.80 GPR139 (0.33) GPR139DHODH
SCHEMBL6729620 0.80 GPR139 (0.36) GPR139ACLYDHODH
SCHEMBL6729888 0.80 ACLY (0.32) GPR139ACLY
SCHEMBL7014884 0.79 GPR139 (0.34) GPR139ACLY
SCHEMBL6730520 0.79 S1PR3 (0.36) DHODH
SCHEMBL6724786 0.77 GPR139 (0.30) GPR139

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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE 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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 PGR 3239/4885BRD4 282/4885GPR139 1431/4885

“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.