SCHEMBL5000890

SCHEMBL5000890

CCOc1ccc(-c2cncc(N3CCN(c4ccc(OC)c(OC)c4)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAP4K1 Q92918 1/20 0.44
MAPT P10636 9/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
SLCO2B1 O94956 1/20 0.42
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
BCL2L1 Q07817 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
NTSR1 P30989 1/20 0.41
SSTR5 P35346 1/20 0.41
NPC1 O15118 2/20 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
SCHEMBL4994280 0.87 MAP4K1 (0.45) ALDH1A1GAAKDM4EMAP4K1MAPT
SCHEMBL4995371 0.86 HTR7 (0.43) ALDH1A1KDM4EMAP4K1MAPTSMN1; SMN2
SCHEMBL4996131 0.86 FYN (0.43) ALDH1A1GAAMAP4K1MAPTSMN1; SMN2
SCHEMBL4993234 0.85 RAD52 (0.42) GAAMAP4K1MAPTSMN1; SMN2LMNA
SCHEMBL4997035 0.85 BRAF (0.47) GAAMAP4K1MAPTSMN1; SMN2LMNA
SCHEMBL5000876 0.84 ALDH1A1 (0.43) ALDH1A1GAAKDM4EMAP4K1MAPT
SCHEMBL4996046 0.84 MAP4K1 (0.43) ALDH1A1GAAKDM4EMAP4K1MAPT
SCHEMBL5000621 0.84 MAP4K1 (0.43) ALDH1A1GAAKDM4EMAP4K1MAPT
SCHEMBL4991797 0.83 CHEK1 (0.46) ALDH1A1KDM4EMAP4K1MAPTSMN1; SMN2
SCHEMBL4993547 0.83 MET (0.48) ALDH1A1GAAKDM4EMAP4K1MAPT

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 1034/4885GAA 2137/4885KDM4E 3445/4885

“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.