SCHEMBL5003082

SCHEMBL5003082

COc1ccc(C2(N)NC=CN=C2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
BACE1 P56817 4/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DYRK1A Q13627 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL28142631 0.70 MAOB (0.37) TDP1MAPK1ALDH1A1CYP3A4MAOB
SCHEMBL2388625 0.69 MAOB (0.39) TDP1MAPK1ALDH1A1CYP3A4MAOB
SCHEMBL1172089 0.67 BACE1 (0.39) TDP1MAPK1ALDH1A1CYP3A4MAOB
SCHEMBL4286926 0.66 TDP1 (0.37) TDP1MAPK1ALDH1A1CYP3A4MAOB
SCHEMBL895814 0.60 MAOB (0.52) TDP1MAPK1ALDH1A1CYP3A4MAOB
Hydrochloric Acid SCHEMBL18742650 0.59 MAOB (0.50) TDP1MAPK1ALDH1A1CYP3A4MAOB
1,4-Dimethoxybenzene SCHEMBL21802643 0.59 CA1 (1.00) TDP1MAPK1ALDH1A1CYP3A4CA1
1,4-Dimethoxybenzene SCHEMBL8489 0.59 CA1 (1.00) TDP1MAPK1ALDH1A1CYP3A4CA1
SCHEMBL4237109 0.58 BACE1 (0.62) TDP1MAPK1CYP3A4BACE1BACE2
SCHEMBL23647427 0.58 MAOB (0.44) TDP1MAPK1MAOBMAOABACE1

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 TDP1 88/4885MAPK1 545/4885ALDH1A1 1034/4885

“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.