SCHEMBL5000544

SCHEMBL5000544

N#Cc1ccc(Nc2cncc(-c3ccc(N)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.57
ABCG2 Q9UNQ0 7/20 0.47
BRAF P15056 2/20 0.46
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
FYN P06241 1/20 0.44
ABCB1 P08183 4/20 0.44
KDR P35968 1/20 0.43
VCP P55072 1/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.41
ATR Q13535 1/20 0.40
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCC1 P33527 1/20 0.40

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
SCHEMBL5000792 0.85 BRAF (0.55) SCN9AABCG2BRAFFYNKDR
SCHEMBL3529729 0.75 BRAF (0.71) SCN9ABRAF
SCHEMBL1122537 0.75 BRAF (0.78) BRAF
SCHEMBL4992499 0.74 BRAF (0.60) ABCG2BRAFFYNKDRATR
SCHEMBL4987209 0.72 KDR (0.79) BRAFKDR
SCHEMBL21044154 0.71 CYP11B2 (0.56) SCN2ASCN10AFYNCHEK1MEN1
SCHEMBL1121932 0.70 BRAF (0.78) BRAF
SCHEMBL30461137 0.70 FYN (0.49) FYNCHEK1MEN1KMT2A
SCHEMBL13315247 0.70 BRAF (0.63) SCN9ABRAFKDRMEN1KMT2A
SCHEMBL7282296 0.70 KDM1A (0.56) ATR

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 SCN9A 3651/4885ABCG2 1460/4885BRAF 478/4885

“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.