SCHEMBL5000676

SCHEMBL5000676

CC(C)c1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.43
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAP4K1 Q92918 1/20 0.38
CHKA P35790 1/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
MAPT P10636 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
MELK Q14680 1/20 0.37
PIM2 Q9P1W9 1/20 0.36
RAD52 P43351 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL5003462 0.85 MAPT (0.47) CHEK1CYP11B1CYP11B2CHKAMAPT
SCHEMBL5000847 0.85 CHEK1 (0.46) CHEK1CYP11B1CYP11B2MAP4K1CHKA
SCHEMBL4995533 0.83 NPC1 (0.47) CHEK1CYP11B1CYP11B2CHKAROCK2
SCHEMBL4997459 0.83 CHEK1 (0.45) CHEK1CYP11B1CYP11B2MAP4K1CHKA
SCHEMBL4997181 0.82 MAPT (0.47) CHEK1CHKAROCK2ROCK1MAPT
SCHEMBL5000709 0.82 ALDH1A1 (0.50) CHEK1MAPT
SCHEMBL4996860 0.82 KIF11 (0.47) CHEK1CYP11B1CYP11B2MAP4K1MAPT
SCHEMBL4997341 0.82 CHEK1 (0.43) CHEK1CYP11B1CYP11B2MAP4K1CHKA
SCHEMBL5000621 0.80 MAP4K1 (0.43) CHEK1MAP4K1MAPT
SCHEMBL4997671 0.80 KDM4E (0.45) CHEK1MAP4K1MAPT

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 1668/4885CYP11B1 132/4885CYP11B2 112/4885

“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.