SCHEMBL6735913

SCHEMBL6735913

C#CCOc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.33
BCAT1 P54687 2/20 0.33
DHODH Q02127 8/20 0.31
KMT2A Q03164 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL6733790 0.88 KMT2A (0.33) DHODHKMT2A
SCHEMBL6724560 0.86 PPOX (0.35) BCAT2BCAT1DHODHGPR139
SCHEMBL6730520 0.85 S1PR3 (0.36) BCAT2BCAT1DHODHKMT2A
SCHEMBL6727706 0.85 BCAT2 (0.33) BCAT2BCAT1DHODHTRPV4
SCHEMBL6724485 0.83 GPR139 (0.34) GPR139TRPV4
SCHEMBL6724441 0.82 CNR1 (0.34) GPR139
SCHEMBL7014884 0.80 GPR139 (0.34) KMT2AGPR139
SCHEMBL6729658 0.77 ALDH1A1 (0.38)
SCHEMBL6729888 0.77 ACLY (0.32) KMT2AGPR139TRPV4
SCHEMBL6724786 0.76 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 BCAT2 2194/4885BCAT1 1757/4885DHODH 1517/4885

“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.