SCHEMBL5000654

SCHEMBL5000654

CSc1ccc(-c2cncc(N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.54
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PIM2 Q9P1W9 2/20 0.39
DGAT1 O75907 1/20 0.39
TP53 P04637 2/20 0.38

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 0.87 CHEK1 (0.57) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4994249 0.86 CHEK1 (0.56) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5003418 0.86 CHEK1 (0.55) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4991463 0.85 CHEK1 (0.45) CHEK1MAPTSMN1; SMN2LMNARXFP1
SCHEMBL4997072 0.84 CHEK1 (0.54) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5002996 0.84 LMNA (0.49) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4995485 0.83 MAPT (0.50) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4997341 0.83 CHEK1 (0.43) CHEK1MAPTRXFP1
SCHEMBL5003385 0.83 CHEK1 (0.52) CHEK1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5003140 0.81 PIM1 (0.47) CHEK1MAPTSMN1; SMN2LMNAALDH1A1

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 1668/4885MAPT 5/4885SMN1; SMN2 896/4885

“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.