SCHEMBL14770493

SCHEMBL14770493

COc1ccc(C(Oc2cccnc2)c2nc3cc(F)ccc3[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 1/20 0.38
▸ CYP11B1 P15538 3/20 0.36
▸ CYP17A1 P05093 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ GCGR P47871 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ CCNB2 O95067 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
SCHEMBL14770499 0.88 MLKL (0.44) MLKLTP53KMT2AKDM4EMEN1
SCHEMBL12066546 0.88 NPY5R (0.39) MLKLCYP11B1CYP11B2MAPTIDO1
SCHEMBL12066053 0.79 MLKL (0.41) MLKLMAPK13ALOX5GCGRMAPK12
SCHEMBL14770729 0.77 MLKL (0.39) MLKLKMT2AKDM4EMEN1ALDH1A1
SCHEMBL14770727 0.77 MLKL (0.39) MLKLKMT2AKDM4EMEN1ALDH1A1
SCHEMBL14770498 0.77 MLKL (0.39) MLKLKMT2AKDM4EMEN1ALDH1A1
SCHEMBL14770492 0.77 AMY1A (0.41) ALOX5MAPTKMT2AKDM4EMEN1
SCHEMBL14770496 0.76 MLKL (0.41) MLKLTP53KMT2AKDM4EMEN1
SCHEMBL14770728 0.76 ALPL (0.40) MLKLKMT2AKDM4EMEN1ALDH1A1
SCHEMBL12065645 0.76 SCN10A (0.38) MLKL

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 2378/4885CYP11B1 1240/4885CYP17A1 4159/4885

“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.

Send feedback