SCHEMBL6730381

SCHEMBL6730381

Cc1ccn2c(=O)n(-c3cc(F)c(C#N)cc3F)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.34
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHODH Q02127 9/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL6730393 0.83 MEN1 (0.35) GPR139KDM4EALDH1A1JAK2TYK2
SCHEMBL6727295 0.83 DHODH (0.43) KDM4EALDH1A1HSD17B10DHODHGLA
SCHEMBL6733995 0.79 KDM4E (0.40) KDM4EALDH1A1HSD17B10DHODHGLA
SCHEMBL6724634 0.77 GPR139 (0.40) GPR139CYP11B1CYP11B2EGLN2
SCHEMBL6729831 0.77 EGLN2 (0.39) KDM4EALDH1A1JAK2TYK2HTT
SCHEMBL6724485 0.76 GPR139 (0.34) GPR139KDM4EALDH1A1BACE2GAA
SCHEMBL6736175 0.76 RXFP1 (0.36) GPR139CYP11B1CYP11B2
SCHEMBL6735483 0.74 CYP11B1 (0.34) GPR139KDM4EHSD17B10DHODHCYP11B1
SCHEMBL6724368 0.73 KDM4E (0.38) GPR139KDM4EALDH1A1DHODHGLA
SCHEMBL20108209 0.73 DHODH (0.43) DHODH

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 1431/4885KDM4E 1331/4885ALDH1A1 318/4885

“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.