SCHEMBL5476339

SCHEMBL5476339

Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
MAPK1 P28482 2/20 0.67
MAPK13 O15264 3/20 0.58
GCGR P47871 3/20 0.58
MAPK12 P53778 3/20 0.58
MAPK11 Q15759 3/20 0.58
MAPK14 Q16539 3/20 0.58
ADORA2A P29274 2/20 0.55
ADORA1 P30542 2/20 0.55
NR1H4 Q96RI1 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
DGAT1 O75907 1/20 0.50
NR1H2 P55055 1/20 0.50

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
SCHEMBL5475289 1.00 ALDH1A1 (0.67) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL18748039 0.91 MAPK1 (0.61) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL18748037 0.91 MAPK1 (0.61) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL16659835 0.89 TDP1 (0.66) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL30476324 0.89 L3MBTL1 (0.64) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL650086 0.89 L3MBTL1 (0.64) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL23511350 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL18758213 0.85 MAPK13 (0.54) ALDH1A1MAPK1MAPK13GCGRMAPK12
SCHEMBL31599316 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1ADORA2AADORA1SMN1; SMN2
SCHEMBL30395001 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1ADORA2AADORA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9324951-B2 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-04-26 US disclosed
US-9324951-B2 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-04-26 US disclosed
US-9324951-B2 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-04-26 US disclosed
US-20150112065-A1 Pyrazine Derivative, and Light Emitting Element, Display Device, Electronic Device Using the Pyrazine Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2015-04-23 US disclosed
US-20150112065-A1 Pyrazine Derivative, and Light Emitting Element, Display Device, Electronic Device Using the Pyrazine Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2015-04-23 US disclosed
US-20150112065-A1 Pyrazine Derivative, and Light Emitting Element, Display Device, Electronic Device Using the Pyrazine Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2015-04-23 US disclosed
US-8920941-B2 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-12-30 US disclosed
US-8920941-B2 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-12-30 US disclosed
US-8920941-B2 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-12-30 US disclosed
US-20070161793-A1 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-07-12 US disclosed
US-20070161793-A1 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-07-12 US disclosed
US-20070161793-A1 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-07-12 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 (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-20070161793-A1 Pyrazine derivative, and light emitting element, display device, electronic device using the pyrazine derivative GRIA1, GRIN1, GRIA2 ALDH1A1 336/4885MAPK1 901/4885MAPK13 3548/4885
US-20150112065-A1 Pyrazine Derivative, and Light Emitting Element, Display Device, Electronic Device Using the Pyrazine Derivative GRIA1, GRIN1, GRIA2 ALDH1A1 336/4885MAPK1 901/4885MAPK13 3548/4885

“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.