SCHEMBL4669943

SCHEMBL4669943

CS(C)=Nc1ncc(Br)nc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.38
HSP90AB1 P08238 2/20 0.38
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR4 P51679 1/20 0.36
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
HSD11B1 P28845 1/20 0.35
DPP4 P27487 4/20 0.34
HSP90AA1 P07900 1/20 0.34
ROS1 P08922 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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 0.78 S1PR4 (0.41) CRHR1HSP90AB1KDM4EHPGDNPSR1
SCHEMBL3814809 0.77 HSP90AB1 (0.45) CRHR1HSP90AB1KDM4ECYP3A4DPP4
SCHEMBL4672956 0.70 S1PR4 (0.42) KDM4EHPGDNPSR1CCR4MAPT
SCHEMBL3815952 0.70 CRHR1 (0.44) CRHR1CCR4CYP3A4DPP4ROS1
SCHEMBL4671820 0.68 CNR1 (0.40) CRHR1KDM4EHPGDNPSR1CCR4
SCHEMBL2868496 0.66 HSP90AB1 (0.49) CRHR1HSP90AB1KDM4ECYP3A4DPP4
SCHEMBL3945057 0.64 HSP90AB1 (0.56) HSP90AB1KDM4EMAPTDPP4HSP90AA1
SCHEMBL6101843 0.63 CRHR1 (0.55) CRHR1HSP90AB1HPGDMAPTHSD11B1
SCHEMBL6101031 0.63 CRHR1 (0.48) CRHR1HSP90AB1KDM4EHPGDNPSR1
SCHEMBL7578666 0.61 HSD11B1 (0.50) CRHR1HSP90AB1HPGDMAPTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20010034051-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2001-10-25 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 (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 CRHR1 3018/4885HSP90AB1 900/4885KDM4E 3056/4885
US-20030216574-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP CRHR1 3018/4885HSP90AB1 900/4885KDM4E 3056/4885
US-20060135534-A1 Pyrazine based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP CRHR1 3018/4885HSP90AB1 900/4885KDM4E 3056/4885

“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.