SCHEMBL5000847

SCHEMBL5000847

Cc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
CHKA P35790 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
FLT3 P36888 1/20 0.40
MAP4K1 Q92918 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
AOC3 Q16853 1/20 0.40
DGAT1 O75907 1/20 0.40

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 0.93 CHEK1 (0.52) CHEK1CLK2CLK3DYRK1ACYP11B1
SCHEMBL4996260 0.89 CHEK1 (0.48) CHEK1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL4987930 0.88 RAD52 (0.42) CHEK1MAPTNPC1RAB9ACLK2
SCHEMBL5003465 0.86 MEN1 (0.48) CHEK1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL4995137 0.86 MEN1 (0.48) CHEK1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL4997459 0.86 CHEK1 (0.45) CHEK1MAPTCLK2CLK3DYRK1A
SCHEMBL4996226 0.86 CHEK1 (0.48) CHEK1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL5003462 0.86 MAPT (0.47) CHEK1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL4995533 0.86 NPC1 (0.47) CHEK1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL4993709 0.86 PIM1 (0.49) CHEK1SMN1; SMN2MAPTCYP11B1CYP11B2

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 1668/4885SMN1; SMN2 896/4885MAPT 5/4885

“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.