SCHEMBL4997323

SCHEMBL4997323

OCc1ccccc1-c1cncc(Nc2ccc(Cl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.46
CDK2 P24941 1/20 0.46
KCNH2 Q12809 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
CDK1 P06493 3/20 0.43
EGFR P00533 2/20 0.42
FGFR2 P21802 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
INSR P06213 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
ADORA2A P29274 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATR Q13535 1/20 0.40
BRAF P15056 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
SCHEMBL4191931 0.77 XDH (0.48) KDRKCNH2SCN5ASCN9AADORA2A
SCHEMBL2885850 0.74 CDK2 (0.49) KDRCDK2KCNH2SCN5ASCN9A
SCHEMBL2889322 0.73 KCNH2 (0.49) KDRCDK2KCNH2SCN5ASCN9A
SCHEMBL2886268 0.71 SCN9A (0.49) KDRCDK2KCNH2SCN5ASCN9A
SCHEMBL2885535 0.70 KCNH2 (0.46) KDRCDK2KCNH2SCN5ASCN9A
SCHEMBL16489061 0.70 ATR (0.62) EGFRATR
SCHEMBL2885798 0.70 CDK2 (0.73) KDRCDK2KCNH2SCN5ASCN9A
SCHEMBL2891388 0.69 SCN9A (0.50) KDRCDK2KCNH2SCN5ASCN9A
SCHEMBL4995151 0.68 KDR (0.64) KDRKCNH2SCN5ASCN9ACDK1
SCHEMBL1497158 0.68 CYP2C19 (0.53) ADORA2AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed
EP-1694670-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC Biotech AG (DE) 2006-08-30 EP claimed
WO-2005058876-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC BIOTECH AG (DE) 2005-06-30 WO claimed
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US disclosed
EP-1694670-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC Biotech AG (DE) 2006-08-30 EP disclosed
WO-2005058876-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC BIOTECH AG (DE) 2005-06-30 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 (1 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C KDR 2202/4885CDK2 636/4885KCNH2 837/4885

“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.