SCHEMBL29558152

SCHEMBL29558152

CN(C)CCOc1cccc(-c2nc3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)cc3[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.72
PLAU P00749 5/20 0.63
PLG P00747 4/20 0.63
DYRK3 O43781 1/20 0.58
MAP4K4 O95819 1/20 0.58
PIM1 P11309 1/20 0.58
RPS6KB1 P23443 1/20 0.58
CSNK2A1 P68400 1/20 0.58
PKN2 Q16513 1/20 0.58
PIM3 Q86V86 1/20 0.58
BRSK1 Q8TDC3 1/20 0.58
AURKB Q96GD4 1/20 0.58
HIPK2 Q9H2X6 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
STK17A Q9UEE5 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58
PRSS1 P07477 1/20 0.56
ACHE P22303 3/20 0.55
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL24312939 1.00 CHEK2 (0.72) CHEK2PLAUPLGDYRK3MAP4K4
SCHEMBL20912409 0.83 PLAU (0.80) CHEK2PLAUPLGPRSS1ACHE
SCHEMBL21017221 0.79 ACHE (0.63) CHEK2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL21018152 0.78 ACHE (0.81) CHEK2PLAUPLGACHEHDAC6
SCHEMBL14599557 0.77 PLAU (0.77) CHEK2PLAUPLGPRSS1
SCHEMBL23566244 0.77 PLAU (0.85) CHEK2PLAUPLGPRSS1
SCHEMBL21018108 0.77 ACHE (0.69) CHEK2DYRK3MAP4K4PIM1RPS6KB1
SCHEMBL29464816 0.77 PLAU (0.76) CHEK2PLAUPLGPRSS1
SCHEMBL5413646 0.77 PLAU (0.76) CHEK2PLAUPLGPRSS1
SCHEMBL20912411 0.76 PLAU (0.91) CHEK2PLAUPLGPRSS1

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-12433872-B2 Treatment of Acanthamoeba or Balamuthia trophozoites and/or cysts GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2025-10-07 US disclosed
US-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 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 (2 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-12433872-B2 Treatment of Acanthamoeba or Balamuthia trophozoites and/or cysts PKD2, PKD1, MUC1 CHEK2 241/4885PLAU 959/4885PLG 141/4885
US-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 CHEK2 241/4885PLAU 959/4885PLG 141/4885

“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.