SCHEMBL4995136

SCHEMBL4995136

NC(=O)c1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.67
CHEK2 O96017 2/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ACVR1 Q04771 1/20 0.46
KMT2A Q03164 2/20 0.45
SLC6A7 Q99884 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PIM2 Q9P1W9 5/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL5002823 0.90 CHEK1 (0.67) CHEK1CHEK2ACVR1PIM2HPGD
SCHEMBL4997580 0.88 CHEK1 (0.57) CHEK1CHEK2MKNK1MKNK2NPC1
SCHEMBL5002975 0.86 CHEK1 (0.55) CHEK1CHEK2KMT2ASLC6A7MEN1
SCHEMBL4996932 0.85 CHEK1 (0.67) CHEK1CHEK2MKNK1MKNK2ACVR1
SCHEMBL4996158 0.85 CHEK1 (0.57) CHEK1CHEK2MKNK1MKNK2ACVR1
SCHEMBL4993281 0.84 MAPT (0.54) CHEK1NPC1RAB9APIM2ALDH1A1
SCHEMBL4995106 0.81 CHEK1 (0.61) CHEK1CHEK2MKNK1MKNK2ACVR1
SCHEMBL4997045 0.81 CHEK1 (0.53) CHEK1KMT2AMEN1POLBNPC1
SCHEMBL5000692 0.81 NPC1 (0.53) CHEK1KMT2ASLC6A7MEN1NPC1
SCHEMBL4996260 0.81 CHEK1 (0.48) CHEK1KMT2AMEN1NPC1RAB9A

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 2 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
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US 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 CHEK1 1668/4885CHEK2 1049/4885MKNK1 1021/4885

“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.