SCHEMBL6724634

SCHEMBL6724634

N#Cc1ccc2nn(-c3cc(F)c(C#N)cc3F)c(=O)n2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.40
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
EGLN2 Q96KS0 4/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
RBP4 P02753 3/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL6724485 0.87 GPR139 (0.34) GPR139EGLN2TRPV4CYP11B1CYP11B2
SCHEMBL6736175 0.87 RXFP1 (0.36) GPR139TRPV4CYP11B1CYP11B2
SCHEMBL6730393 0.87 MEN1 (0.35) GPR139EGLN2TRPV4CYP11B1CYP11B2
SCHEMBL6735483 0.85 CYP11B1 (0.34) GPR139TRPV4CYP11B1CYP11B2
SCHEMBL6727295 0.81 DHODH (0.43)
SCHEMBL6730381 0.77 GPR139 (0.36) GPR139EGLN2CYP11B1CYP11B2
SCHEMBL7014884 0.77 GPR139 (0.34) GPR139
SCHEMBL6729850 0.76 KCNQ3 (0.32) EGLN2TRPV4CYP11B1CYP11B2
SCHEMBL6729658 0.74 ALDH1A1 (0.38) HTR1ADRD2HTR2AADRA1A
SCHEMBL6730520 0.74 S1PR3 (0.36)

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 GPR139 1431/4885HTR1A 1553/4885DRD2 331/4885

“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.