SCHEMBL4997045

SCHEMBL4997045

COc1ccccc1N1CCN(c2cncc(-c3ccc(C(N)=O)cc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
RPS6KB1 P23443 1/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48

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
SCHEMBL4987426 0.85 LMNA (0.57) MEN1KMT2ALMNAL3MBTL1NPC1
SCHEMBL4994241 0.85 LMNA (0.57) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL4997644 0.84 LMNA (0.56) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL4995106 0.83 CHEK1 (0.61) CHEK1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL5003443 0.82 L3MBTL1 (0.54) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL4997572 0.82 LMNA (0.54) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL5003391 0.82 LMNA (0.54) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL4995136 0.81 CHEK1 (0.67) CHEK1MEN1KMT2APOLBNPC1
SCHEMBL5000907 0.81 LMNA (0.56) MEN1KMT2ALMNAL3MBTL1NPC1
SCHEMBL4996932 0.81 CHEK1 (0.67) CHEK1NPC1RAB9ASMN1; SMN2ALDH1A1

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 1668/4885MEN1 1557/4885KMT2A 4601/4885

“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.