SCHEMBL6406678

SCHEMBL6406678

FC(F)(F)c1cccc(-c2nnc(SCc3cccc(I)c3)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
DAO P14920 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TNF P01375 1/20 0.45
POLB P06746 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAOB P27338 1/20 0.42
CXCR2 P25025 1/20 0.42
SCN2A Q99250 1/20 0.41
RAB9A P51151 2/20 0.41
EGFR P00533 1/20 0.40
MET P08581 1/20 0.40
GRK6 P43250 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
CCNB2 O95067 1/20 0.38

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
SCHEMBL6405550 0.84 MAOB (0.54) DAOMEN1KMT2APOLBMAOB
SCHEMBL6404359 0.80 HRH1 (0.49) MAPK14MEN1KMT2ATNFPOLB
SCHEMBL21763890 0.79 MAPK14 (0.53) MAPK14MEN1KMT2AHRH1HRH4
SCHEMBL6408555 0.76 CYP2D6 (0.45) DAOMEN1KMT2AMAOBRAB9A
SCHEMBL6410250 0.75 HRH1 (0.46) MAPK14MEN1KMT2AHRH1HRH4
SCHEMBL14907729 0.75 GRK6 (0.63) KMT2APOLBHRH1HRH4SCN2A
SCHEMBL18540506 0.74 GRK6 (0.50) MEN1KMT2APOLBHRH1HRH4
SCHEMBL6405975 0.74 HRH1 (0.44) MEN1KMT2AHRH1HRH4SCN2A
SCHEMBL6404855 0.72 MAOB (0.51) MEN1KMT2APOLBMAOBRAB9A
SCHEMBL6404980 0.69 L3MBTL1 (0.52) DAOMEN1KMT2APOLBHRH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT MAPK14 4461/4885DAO 551/4885MEN1 3562/4885

“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.