SCHEMBL4628006

SCHEMBL4628006

CCCCCNc1cncc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.50
DRD2 P14416 5/20 0.50
HTR2A P28223 5/20 0.50
CDK2 P24941 2/20 0.42
HCAR3 P49019 1/20 0.42
KMT2A Q03164 1/20 0.41
DNM2 P50570 8/20 0.40
TLR8 Q9NR97 2/20 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
SCHEMBL31452178 0.95 HRH1 (0.48) HRH1DRD2HTR2ACDK2HCAR3
SCHEMBL6659258 0.85 HRH1 (0.50) HRH1DRD2HTR2ACDK2KMT2A
SCHEMBL12513367 0.83 HRH1 (0.45) HRH1DRD2HTR2ACDK2KMT2A
SCHEMBL3193118 0.80 TLR8 (0.47) HCAR3DNM2TLR8
SCHEMBL4628403 0.80 TLR8 (0.47) HCAR3DNM2TLR8
SCHEMBL3509031 0.80 KDR (0.51) HRH1DRD2HTR2ACDK2
SCHEMBL3186741 0.79 TLR8 (0.46) HCAR3DNM2TLR8
SCHEMBL31492959 0.79 HRH1 (0.44) HRH1DRD2HTR2ACDK2HCAR3
SCHEMBL11475156 0.78 HRH1 (0.41) HRH1DRD2HTR2ACDK2
SCHEMBL3505428 0.78 CYP2D6 (0.50) HRH1DRD2HTR2ACDK2KMT2A

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
EP-1734820-A4 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, AND IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORP (US) 2008-01-23 EP disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-20070043056-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-22 US disclosed
US-7179807-B2 5-substituted-2-arylpyrazines NEUROGEN CORPORATION (US) 2007-02-20 US disclosed
EP-1734820-A2 IMIDAZOPYRAZINES, IMIDAZOPYRIDINES, AND IMIDAZOPYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-12-27 EP disclosed
EP-1680424-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-07-19 EP disclosed
EP-1675858-A2 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2006-07-05 EP disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
EP-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP disclosed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005028480-A2 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2005-03-31 WO disclosed
WO-2005023806-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-03-17 WO disclosed
EP-1500653-A1 Substituted arylpyrazines Neurogen Corporation (US) 2005-01-26 EP disclosed
US-20040106620-A1 5-Substituted-2-arylpyrazines NEUROGEN CORPORATION 2004-06-03 US disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
US-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 US disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 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 (6 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-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D HRH1 191/4885DRD2 133/4885HTR2A 27/4885
US-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH HRH1 85/4885DRD2 150/4885HTR2A 14/4885
US-20040106620-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C HRH1 149/4885DRD2 106/4885HTR2A 4/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP HRH1 104/4885DRD2 247/4885HTR2A 32/4885
US-20070043056-A1 5-Substituted-2-arylpyrazines HTR5A, CRHR2, HTR2C HRH1 149/4885DRD2 106/4885HTR2A 4/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH HRH1 81/4885DRD2 165/4885HTR2A 13/4885

“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.