SCHEMBL4991463

SCHEMBL4991463

CSc1ccc(-c2cncc(N3CCN(c4ccc(C)cc4)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.45
DGAT1 O75907 3/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
DHFR P00374 2/20 0.38
MAP4K1 Q92918 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAOA P21397 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 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
SCHEMBL5000712 0.91 CHEK1 (0.52) CHEK1DGAT1CLK2CLK3DYRK1A
SCHEMBL5002996 0.89 LMNA (0.49) CHEK1DHFRCYP11B1CYP11B2ROCK1
SCHEMBL4997341 0.89 CHEK1 (0.43) CHEK1CLK2CLK3DYRK1ADHFR
SCHEMBL4995485 0.89 MAPT (0.50) CHEK1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL4993730 0.87 DGAT1 (0.41) CHEK1DGAT1CLK2CLK3DYRK1A
SCHEMBL5003140 0.86 PIM1 (0.47) CHEK1DGAT1DHFRMAP4K1CYP11B1
SCHEMBL5000654 0.85 CHEK1 (0.54) CHEK1DGAT1MAPTRXFP1ALDH1A1
SCHEMBL4995137 0.85 MEN1 (0.48) CHEK1DGAT1CYP11B1CYP11B2MAPT
SCHEMBL5003465 0.85 MEN1 (0.48) CHEK1DGAT1CYP11B1CYP11B2MAPT
SCHEMBL4996226 0.84 CHEK1 (0.48) CHEK1MAP4K1MAPTKDM4EALDH1A1

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 1668/4885DGAT1 4877/4885CLK2 1374/4885

“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.