SCHEMBL20144408

SCHEMBL20144408

CC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.69
NFKB1 P19838 1/20 0.69
APP P05067 3/20 0.59
ALOX5 P09917 6/20 0.59
FDPS P14324 1/20 0.59
GAA P10253 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
JAK2 O60674 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
VCP P55072 1/20 0.55
IAPP P10997 1/20 0.54
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52

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
SCHEMBL16976570 0.92 JUN (0.73) JUNNFKB1APPFDPSGAA
SCHEMBL2219674 0.90 NFKB1 (0.85) JUNNFKB1ALOX5GAAHTT
SCHEMBL2294213 0.88 JUN (0.68) JUNNFKB1ALOX5GAAHTT
SCHEMBL31256668 0.88 JUN (0.68) JUNNFKB1ALOX5GAAHTT
SCHEMBL2294216 0.88 JUN (0.68) JUNNFKB1ALOX5GAAHTT
SCHEMBL5934912 0.87 JUN (0.66) JUNNFKB1ALOX5GAAHTT
SCHEMBL30964227 0.87 JUN (0.66) JUNNFKB1ALOX5GAAHTT
SCHEMBL7017036 0.87 JUN (0.66) JUNNFKB1ALOX5GAAHTT
Hydrochloric Acid SCHEMBL8830740 0.87 JUN (0.66) JUNNFKB1ALOX5GAAHTT
SCHEMBL28541317 0.87 JUN (0.66) JUNNFKB1ALOX5GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703729-B2 Pyrazine derivative, and preparation method and medical use thereof GUANGZHOU MAGPIE PHARMACEUTICALS CO LTD (CN) 2020-07-07 US disclosed
US-20190276413-A1 Pyrazine derivative, and preparation method and medical use thereof GUANGZHOU MAGPIE PHARMACEUTICALS CO., LTD. (CN) 2019-09-12 US disclosed
EP-3321259-A1 NEW PYRAZINE DERIVATIVE, AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF Guangzhou Magpie Pharmaceutical Co., Ltd. (CN) 2018-05-16 EP 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 (2 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-20190276413-A1 Pyrazine derivative, and preparation method and medical use thereof RYR2, RYR1, ORAI1 JUN 1003/4885NFKB1 1184/4885APP 9/4885
US-10703729-B2 Pyrazine derivative, and preparation method and medical use thereof RYR2, RYR1, ORAI1 JUN 1003/4885NFKB1 1184/4885APP 9/4885

“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.