SCHEMBL4997571

SCHEMBL4997571

FC(F)(F)c1ccc(-c2cncc(N3CCN(c4cnccn4)CC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
SORD Q00796 1/20 0.43
SMO Q99835 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
SLC6A7 Q99884 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
KIF11 P52732 1/20 0.41
SCN9A Q15858 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
SCHEMBL4991352 0.87 HRH3 (0.55) PIM1PIM3PIM2MAPTKDM4E
SCHEMBL5003442 0.83 MAPT (0.47) MAPTKDM4EDRD2DRD4DRD3
SCHEMBL4996917 0.83 SORD (0.46) MAPTKDM4EDRD2DRD4DRD3
SCHEMBL5000680 0.82 PIM1 (0.51) PIM1PIM3PIM2MAPTKDM4E
SCHEMBL4995148 0.81 PIM1 (0.50) PIM1PIM3PIM2MAPTDRD2
SCHEMBL4995101 0.81 PIM1 (0.50) PIM1PIM3PIM2MAPTDRD2
SCHEMBL4993709 0.80 PIM1 (0.49) PIM1PIM3PIM2MAPTSMO
SCHEMBL4996909 0.80 CYP1A2 (0.47) MAPTKDM4EDRD2DRD4DRD3
SCHEMBL4997670 0.80 SORD (0.43) PIM2MAPTKDM4EDRD2DRD4
SCHEMBL4996249 0.79 MAPT (0.50) PIM1PIM3PIM2MAPTKDM4E

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.