SCHEMBL6742418

SCHEMBL6742418

CC(=NNC(=N)N)c1cc(N)cc(C(C)=NNC(=N)N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
CHUK O15111 1/20 0.56
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
ROCK2 O75116 1/20 0.56
PAK4 O96013 1/20 0.56
CHEK2 O96017 1/20 0.56
CDK1 P06493 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
FGFR3 P22607 1/20 0.56
RPS6KB1 P23443 1/20 0.56
CDK2 P24941 1/20 0.56
MARK3 P27448 1/20 0.56
AKT1 P31749 1/20 0.56
AKT2 P31751 1/20 0.56
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56

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
SCHEMBL6742405 1.00 PLK4 (0.56) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL5974538 0.92 PLK4 (0.62) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL6744295 0.92 PLK4 (0.62) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL13896403 0.85 PLK4 (0.56) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL6742629 0.85 PLK4 (0.56) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL6742619 0.85 PLK4 (0.56) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL14113740 0.82 PLK4 (0.61) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL15494447 0.81 MAPT (0.50) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL6746918 0.81 PLK4 (0.68) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL6746922 0.81 PLK4 (0.68) PLK4CHEK1AURKACHUKDAPK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
US-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US disclosed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 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 (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-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 PLK4 557/4885CHEK1 4198/4885AURKA 2144/4885

“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.