SCHEMBL4992873

SCHEMBL4992873

c1ccc2cc(-c3cncc(N4CCN(CCN5CCCC5)CC4)n3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.52
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
CSNK1D P48730 4/20 0.45
MAPK11 Q15759 4/20 0.45
MAPK14 Q16539 4/20 0.45
PIM2 Q9P1W9 4/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DYRK1A Q13627 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL4993263 0.82 MAPT (0.47) RAD52CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL4995513 0.80 PIM2 (0.56) RAD52CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL5000472 0.80 CYP11B1 (0.53) RAD52CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL4992059 0.80 POLB (0.51) CYP11B1CYP11B2ROCK2ROCK1CSNK1D
SCHEMBL4995140 0.80 CSNK1D (0.49) RAD52CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL4996961 0.78 MEN1 (0.51) RAD52CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL5003429 0.78 KDM4E (0.51) RAD52CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL5000701 0.78 LMNA (0.51) RAD52CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL3649334 0.77 DKK1 (0.61) RAD52CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL4994785 0.76 SLC6A2 (0.47) RAD52PIM2SLC6A2SLC6A4DRD2

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 RAD52 1663/4885CYP11B1 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.