SCHEMBL5000472

SCHEMBL5000472

Fc1ccc(-c2cncc(N3CCN(CCN4CCCC4)CC3)n2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
RAD52 P43351 1/20 0.47
RPS6KB1 P23443 8/20 0.43
AKT1 P31749 8/20 0.43
PIM2 Q9P1W9 3/20 0.43
PIM1 P11309 2/20 0.43
PIM3 Q86V86 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
PTPN11 Q06124 3/20 0.40
AXL P30530 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL4992156 0.81 CYP11B1 (0.49) CYP11B1CYP11B2RAD52PIM2PIM1
SCHEMBL4992873 0.80 RAD52 (0.52) CYP11B1CYP11B2RAD52PIM2PIM1
SCHEMBL5003086 0.80 CYP11B1 (0.47) CYP11B1CYP11B2RAD52PIM2PIM1
SCHEMBL5000719 0.80 CYP11B1 (0.47) CYP11B1CYP11B2RAD52PIM2PIM1
SCHEMBL4997662 0.78 CYP11B1 (0.46) CYP11B1CYP11B2RAD52PIM2PIM1
SCHEMBL4992899 0.77 CYP11B1 (0.45) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL5003013 0.76 CYP11B2 (0.60) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL5003151 0.75 MAPT (0.50) CYP11B1CYP11B2
SCHEMBL5000887 0.75 CHEK1 (0.47) CYP11B1CYP11B2PIM2
SCHEMBL5003298 0.75 MAPT (0.44) CYP11B1CYP11B2PIM2PIM1PIM3

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 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C CYP11B1 132/4885CYP11B2 112/4885RAD52 1663/4885

“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.