SCHEMBL4672947

SCHEMBL4672947

CN(CCN)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
POLB P06746 2/20 0.64
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 5/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CXCR5 P32302 1/20 0.38
APLNR P35414 1/20 0.38
CCR6 P51684 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL23634077 0.91 PKM (0.74) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL3389368 0.86 PKM (0.68) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL16706322 0.86 PKM (0.68) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL2790806 0.85 PKM (0.67) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL30672775 0.82 PKM (0.64) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL14659505 0.82 PKM (0.64) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL2790502 0.82 PKM (0.64) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL2791668 0.81 PKM (0.62) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL14079204 0.80 PKM (0.61) PKMPOLBKMT2ARAB9AMEN1
SCHEMBL2793287 0.80 PKM (0.61) PKMPOLBKMT2ARAB9AMEN1

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
CN-108929705-B Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, liquid crystal element, polymer, and diamine JSR株式会社 2023-05-30 CN disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-7384942-B2 3-(2,4-dichlorophenyl)-5-bromoyrazine-2-ylamine; inhibiting the formation of neurofibrillary tangles; neurodegenerative, brain disorders; treatment of Alzheimer's disease with one or more additional agents donepezil or tacrine; anticarcinogenic, antiischemic, antidiabetic; insulin resistance NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-06-10 US disclosed
EP-1237880-B1 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-01-23 EP disclosed
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-06-22 US disclosed
US-6949547-B2 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2005-09-27 US disclosed
US-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 NUSS JOHN M (US) 2003-11-20 US disclosed
US-6608063-B2 For example: (2-(3-amino-4-nitrophenyl)amino)ethyl)(6-(2,4-dichlorophenyl-5-nitropyrazin -2-yl)-amine; antidiabetic, -carcingenic and ischemic agents; nervous and cardiovascular system disorders; immunotherapy; obesity; syndromes CHIRON CORPORATION 2003-08-19 US disclosed
EP-1237880-A2 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-09-11 EP disclosed
WO-2001044206-A9 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2002-05-23 WO disclosed
US-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2001-10-25 US disclosed
WO-2001044206-A1 PYRAZINE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2001-06-21 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-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP PKM 216/4885POLB 1115/4885KMT2A 3220/4885
US-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP PKM 216/4885POLB 1115/4885KMT2A 3220/4885
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP PKM 216/4885POLB 1115/4885KMT2A 3220/4885

“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.