SCHEMBL5003418

SCHEMBL5003418

CC(=O)c1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.55
HRH3 Q9Y5N1 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PIM2 Q9P1W9 1/20 0.42
F12 P00748 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4993330 0.89 CHEK1 (0.57) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4994249 0.88 CHEK1 (0.56) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5002823 0.88 CHEK1 (0.67) CHEK1ROCK2ROCK1PIM2F12
SCHEMBL4997769 0.87 PIM2 (0.52) CHEK1NPC1RAB9ASMN1; SMN2PIM2
SCHEMBL5000654 0.86 CHEK1 (0.54) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4997072 0.86 CHEK1 (0.54) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5003385 0.84 CHEK1 (0.52) CHEK1HRH3NPC1RAB9AMAPT
SCHEMBL4997188 0.83 HRH3 (0.53) HRH3NPC1RAB9AMAPTLMNA
SCHEMBL4997459 0.83 CHEK1 (0.45) CHEK1MAPTROCK2ROCK1PIM2
SCHEMBL5000847 0.83 CHEK1 (0.46) CHEK1NPC1RAB9AMAPTSMN1; SMN2

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 1 patent. 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

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 1668/4885HRH3 3459/4885NPC1 2008/4885

“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.