SCHEMBL6733995

SCHEMBL6733995

Cc1cccn2c(=O)n(-c3cc(F)c(C#N)cc3F)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
ALDH1A1 P00352 10/20 0.40
HPGD P15428 8/20 0.40
GAA P10253 7/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
GLA P06280 6/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
HSD17B10 Q99714 8/20 0.38
CASP1 P29466 7/20 0.38
CASP7 P55210 6/20 0.38
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
DHODH Q02127 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
BCAT2 O15382 1/20 0.34

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
SCHEMBL6724368 0.87 KDM4E (0.38) KDM4EALDH1A1HPGDGAAESR1
SCHEMBL6727295 0.81 DHODH (0.43) KDM4EALDH1A1HPGDGAAESR1
SCHEMBL6730381 0.79 GPR139 (0.36) KDM4EALDH1A1GAAGLAHSD17B10
SCHEMBL6730393 0.76 MEN1 (0.35) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6729831 0.75 EGLN2 (0.39) KDM4EALDH1A1HPGDHTTBCAT2
SCHEMBL20108209 0.73 DHODH (0.43) DHODH
SCHEMBL29816521 0.73 DHODH (0.43) DHODH
SCHEMBL6724634 0.72 GPR139 (0.40)
SCHEMBL5844583 0.72 KDM4E (0.40) KDM4EALDH1A1BCAT2BCAT1
SCHEMBL8787649 0.72 TRPV4 (0.33) KDM4EALDH1A1DHODH

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 KDM4E 1331/4885ALDH1A1 318/4885HPGD 2371/4885

“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.