SCHEMBL14770708

SCHEMBL14770708

COc1ccc(C(O)c2nc3c(F)cc(Cl)cc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AMY1A P0DUB6 1/20 0.40
▸ GAA P10253 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 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
SCHEMBL14770624 0.87 AMY1A (0.40) AMY1AGAACYP3A4GRIN2DGRIN3B
SCHEMBL12066581 0.86 TOP2A (0.39) MLKLGAAGRIN2B
SCHEMBL14770713 0.81 MLKL (0.45) MLKLMEN1KMT2AGAATSHR
SCHEMBL14770722 0.78 MLKL (0.46) MLKLMEN1KMT2AAMY1AGAA
SCHEMBL14770697 0.77 MLKL (0.51) MLKLMEN1KMT2AAMY1AGAA
SCHEMBL14770470 0.74 MLKL (0.48) MLKLMEN1KMT2AAMY1AGAA
SCHEMBL14770661 0.73 MLKL (0.72) MLKLMEN1KMT2AGAATSHR
SCHEMBL14770690 0.73 MLKL (0.52) MLKLMEN1KMT2AGAATSHR
SCHEMBL14770511 0.72 MEN1 (0.44) MLKLMEN1KMT2AGAATSHR
SCHEMBL14770628 0.72 NUDT1 (0.37) AMY1ACYP3A4GRIN2DGRIN3BGRIN1

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 2378/4885MEN1 2676/4885KMT2A 4545/4885

“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.

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