SCHEMBL6729309

SCHEMBL6729309

CCS(=O)(=O)Nc1cc(-n2nc3ccccn3c2=O)c(F)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.44
PSIP1 O75475 1/20 0.38
BRD4 O60885 1/20 0.37
PGR P06401 3/20 0.36
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
AR P10275 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
KMT2A Q03164 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
SCHEMBL6729050 0.85 PGR (0.37) DHODHPSIP1BRD4PGRSLC22A12
SCHEMBL6727295 0.81 DHODH (0.43) DHODHKDM4EALDH1A1HPGD
SCHEMBL7941767 0.78 PGR (0.36) DHODHPSIP1BRD4PGRSLC22A12
SCHEMBL6308458 0.77 PGR (0.40) DHODHBRD4PGRAR
SCHEMBL6310409 0.77 PGR (0.39) DHODHBRD4PGRAR
Potassium SCHEMBL7157685 0.77 PGR (0.39) DHODHBRD4PGRAR
SCHEMBL7157679 0.77 PGR (0.39) DHODHBRD4PGRAR
SCHEMBL6310920 0.76 PGR (0.35) DHODHPSIP1BRD4PGRAR
SCHEMBL6307788 0.76 CTSK (0.36) DHODHBRD4PGRAR
SCHEMBL8182967 0.75 PSIP1 (0.44) PSIP1BRD4PGRSLC22A12AR

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 DHODH 1517/4885PSIP1 4678/4885BRD4 282/4885

“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.