SCHEMBL4997580

SCHEMBL4997580

NC(=O)c1ccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.57
CHEK2 O96017 1/20 0.53
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
RPS6KB1 P23443 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM2 Q9P1W9 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DHFR P00374 1/20 0.43

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
SCHEMBL5000689 0.89 MAPT (0.53) CHEK1CHEK2HTR7PIM2
SCHEMBL4995136 0.88 CHEK1 (0.67) CHEK1CHEK2MKNK1MKNK2PIM2
SCHEMBL4996158 0.86 CHEK1 (0.57) CHEK1CHEK2HTR1AMKNK1MKNK2
SCHEMBL5000893 0.85 ABCG2 (0.52) HTR1AHTR7PIM2GAAGFER
SCHEMBL4993619 0.84 DHFR (0.46) PIM2GAAGFERDHFR
SCHEMBL5000830 0.84 MEN1 (0.45) HTR1AHTR2AHTR7HTR6GAA
SCHEMBL5003018 0.83 PIM2 (0.43) HTR1AHTR2AHTR7HTR6PIM2
SCHEMBL5002823 0.83 CHEK1 (0.67) CHEK1CHEK2PIM2
SCHEMBL5002971 0.83 PIM2 (0.50) PIM2
SCHEMBL5000803 0.81 THRB (0.44) PIM2GAAGFERDHFR

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 3 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

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 CHEK1 1668/4885CHEK2 1049/4885HTR1A 2569/4885

“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.