SCHEMBL3814809

SCHEMBL3814809

Nc1ncc(Br)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.45
DPP4 P27487 11/20 0.45
HSP90AA1 P07900 2/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MGAM O43451 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
RAB9A P51151 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CRHR1 P34998 1/20 0.39

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
SCHEMBL3821288 0.85 S1PR4 (0.41) HSP90AB1DPP4HSP90AA1CYP3A4KDM4E
SCHEMBL2868496 0.85 HSP90AB1 (0.49) HSP90AB1DPP4HSP90AA1CYP3A4LMNA
SCHEMBL14302415 0.83 HSP90AB1 (0.44) HSP90AB1DPP4HSP90AA1CYP3A4LMNA
SCHEMBL2702030 0.80 USP7 (0.43) HSP90AB1DPP4HSP90AA1KDM4EALDH1A1
SCHEMBL4672956 0.77 S1PR4 (0.42) LMNAKDM4E
SCHEMBL4669943 0.77 CRHR1 (0.38) HSP90AB1DPP4HSP90AA1CYP3A4KDM4E
SCHEMBL3945057 0.76 HSP90AB1 (0.56) HSP90AB1DPP4HSP90AA1LMNAKDM4E
SCHEMBL2702913 0.76 RAB9A (0.49) DPP4CYP3A4LMNAKDM4EALDH1A1
SCHEMBL2869404 0.76 DPP4 (0.46) HSP90AB1DPP4HSP90AA1CYP3A4LMNA
SCHEMBL4672325 0.76 GSK3B (0.45) HSP90AB1DPP4CYP3A4CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629346-B2 Pyrazinecarboxamide derivatives as CB1 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-2035394-B1 2-PYRAZINECARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
EP-2035394-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-18 EP 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
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
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
WO-2007147746-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-12-20 US 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 (4 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 HSP90AB1 900/4885DPP4 2106/4885HSP90AA1 1390/4885
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists CNR1, CNR2, GPR119 HSP90AB1 3971/4885DPP4 1705/4885HSP90AA1 3845/4885
US-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP HSP90AB1 900/4885DPP4 2106/4885HSP90AA1 1390/4885
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP HSP90AB1 900/4885DPP4 2106/4885HSP90AA1 1390/4885

“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.