SCHEMBL14770608

SCHEMBL14770608

COc1ccc(C(O)c2nc3cc(Br)ccc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.48
FLT3 P36888 1/20 0.42
CHEK2 O96017 1/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.38
PDE10A Q9Y233 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
MTNR1B P49286 2/20 0.36
MTNR1A P48039 1/20 0.36
IDO1 P14902 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL14770690 0.89 MLKL (0.52) MLKLCHEK2MAPTGAATSHR
SCHEMBL12066577 0.86 MLKL (0.59) MLKLFLT3CHEK2MAPTGAA
SCHEMBL14770613 0.86 FLT3 (0.40) MLKLFLT3MAPTMEN1KMT2A
SCHEMBL14770701 0.86 MLKL (0.49) MLKLFLT3CHEK2MAPTGAA
SCHEMBL14770470 0.85 MLKL (0.48) MLKLFLT3CHEK2GAATSHR
SCHEMBL14770697 0.85 MLKL (0.51) MLKLFLT3CHEK2GAATSHR
SCHEMBL14762997 0.84 MLKL (0.42) MLKLGAAPDE10AKMT2A
SCHEMBL14770471 0.82 MEN1 (0.55) MLKLCHEK2MAPTGAATSHR
SCHEMBL14770699 0.82 MLKL (0.46) MLKLCHEK2MAPTGAATSHR
SCHEMBL18269214 0.82 MLKL (0.54) MLKLGAAMAPK1ATMKMT2A

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-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A MLKL 2378/4885FLT3 1912/4885CHEK2 1636/4885

“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.