SCHEMBL4996244

SCHEMBL4996244

Fc1ccc(N2CCN(c3cncc(-c4cccc5ccccc45)n3)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.39
PIM3 Q86V86 6/20 0.39
PIM2 Q9P1W9 5/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN11 Q06124 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
PARP1 P09874 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL5002992 0.89 MAPT (0.51) PIM1PIM3PIM2MAPK3MAPK1
SCHEMBL4994725 0.85 GRM5 (0.41) PIM1PIM3PIM2LMNAMAPT
SCHEMBL5000846 0.81 CYP11B1 (0.47) PIM1PIM3PIM2LMNAMAPT
SCHEMBL5000715 0.81 NPY2R (0.41) MAPTPARP1
SCHEMBL4997591 0.81 CYP11B1 (0.47) PIM1PIM3PIM2LMNAMAPT
SCHEMBL5003446 0.78 MAPT (0.47) PIM2MAPK3MAPK1PTPN11LMNA
SCHEMBL4995524 0.78 DCK (0.41) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL4993024 0.76 RIPK3 (0.44) PIM1PIM3PIM2MAPK3MAPK1
SCHEMBL5000611 0.76 LMNA (0.45) PIM1PIM3PIM2MAPK3MAPK1
SCHEMBL4991829 0.76 CYP11B1 (0.46) PIM1PIM3PIM2LMNAMAPT

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 PIM1 1047/4885PIM3 1429/4885PIM2 1679/4885

“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.