SCHEMBL14770713

SCHEMBL14770713

COc1ccc(C(O)c2nc3c(F)cccc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 2/20 0.45
▸ PARP1 P09874 3/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ GAA P10253 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ MGAM O43451 2/20 0.38
▸ SI P14410 2/20 0.38
▸ MGAM2 Q2M2H8 2/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AURKA O14965 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
SCHEMBL14770642 0.86 PARP1 (0.40) PARP1PLA2G2AALOX15PTGS2GAA
SCHEMBL12066588 0.85 MLKL (0.40) MLKLPARP1DHODH
SCHEMBL14770708 0.81 MLKL (0.42) MLKLGAATSHRMAPK1ATM
SCHEMBL14770661 0.79 MLKL (0.72) MLKLGAATSHRMAPK1ATM
SCHEMBL14770722 0.78 MLKL (0.46) MLKLGAATSHRMAPK1ATM
SCHEMBL17910500 0.77 CYP1A2 (0.46) PARP1PLA2G2AALOX15PTGS2GAA
Hydrochloric Acid SCHEMBL17910659 0.76 CYP1A2 (0.45) PARP1PLA2G2AALOX15PTGS2GAA
SCHEMBL14770470 0.74 MLKL (0.48) MLKLGAATSHRMAPK1FLT3
SCHEMBL14770690 0.73 MLKL (0.52) MLKLGAATSHRMAPK1ATM
SCHEMBL4118985 0.73 HSD17B10 (0.47) MLKLPARP1GAAMGAMSI

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 2378/4885PARP1 4644/4885PLA2G2A 1777/4885

“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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