SCHEMBL245787

SCHEMBL245787

CC(N)(C#N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.54
TSHR P16473 4/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 5/20 0.47
ACHE P22303 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
ALOX15 P16050 1/20 0.43
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL14883757 0.86 PTPRC (0.52) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL1013141 0.85 PTPRC (0.55) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL14292542 0.83 PTPRC (0.59) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL3580628 0.83 PTPRC (0.52) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL3579270 0.83 PTPRC (0.60) PTPRCTSHRLMNAALDH1A1ACHE
Hydrochloric Acid SCHEMBL1646254 0.81 PTPRC (0.58) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL4617227 0.81 ALDH1A1 (0.57) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL4705872 0.80 PTPRC (0.56) PTPRCTSHRLMNAALDH1A1ACHE
Bromide SCHEMBL4434537 0.80 PTPRC (0.56) PTPRCTSHRLMNAALDH1A1ACHE
SCHEMBL179286 0.79 PTPRC (0.63) PTPRCTSHRLMNAALDH1A1ACHE

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845326-B2 Substituted 3,4-dihydropyrrolo[1,2-A]pyrazines as beta-secretase (BACE) inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-12-19 US disclosed
US-9346811-B2 6,7-dihydro-pyrazolo[1,5-a]pyrazin-4-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-24 US disclosed
EP-2681219-B1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2015-10-28 EP disclosed
EP-2683721-B1 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2015-01-28 EP disclosed
EP-2588466-B1 5-Amino-3,6-dihydro-1H-pyrazin-2-one derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-03-19 EP disclosed
EP-2588466-B1 5-Amino-3,6-dihydro-1H-pyrazin-2-one derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-03-19 EP disclosed
EP-2683721-A1 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica N.V. (BE) 2014-01-15 EP disclosed
EP-2681219-A1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2014-01-08 EP disclosed
US-20140005200-A1 6,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-01-02 US disclosed
US-20130345228-A1 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICAL NV (BE) 2013-12-26 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
CN-102985412-A 3-amino-5,6-dihydro-1h-pyrazin-2-one derivatives useful for the treatement of alzheimer's disease and other forms of dementia JANSSEN PHARMACEUTICA NV 2013-03-20 CN disclosed
WO-2012120023-A1 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-09-13 WO disclosed
WO-2012117027-A1 6,7-DIHYDRO-PYRAZOLO[1,5-A]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-09-07 WO disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 WO disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 WO disclosed
WO-2011154374-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO disclosed
WO-2011154374-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO 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 (3 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-20130345228-A1 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 PTPRC 3596/4885TSHR 4799/4885LMNA 391/4885
US-20140005200-A1 6,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-4-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 PTPRC 4114/4885TSHR 4755/4885LMNA 393/4885
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 PTPRC 3861/4885TSHR 4766/4885LMNA 665/4885

“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.