SCHEMBL5000710

SCHEMBL5000710

COc1ccc(-c2cncc(N3CCN(c4ccccn4)CC3)n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 9/20 0.54
HSD17B10 Q99714 6/20 0.54
HPGD P15428 3/20 0.51
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
BCHE P06276 1/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
TSHR P16473 3/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4997644 0.85 LMNA (0.56) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL5000827 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4997110 0.84 MAP4K1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4997810 0.82 MAPT (0.49) ALDH1A1KDM4EHSD17B10HPGDACHE
SCHEMBL4992059 0.82 POLB (0.51) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL5003471 0.81 MAPT (0.54) ALDH1A1KDM4EHSD17B10HPGDACHE
SCHEMBL5003434 0.80 ACHE (0.57) ALDH1A1KDM4EHSD17B10HPGDACHE
SCHEMBL5000876 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4994408 0.80 POLB (0.50) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4992856 0.80 TP53 (0.50) ALDH1A1KDM4EHPGDACHEBACE1

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 ALDH1A1 1034/4885KDM4E 3445/4885HSD17B10 1811/4885

“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.