SCHEMBL5000896

SCHEMBL5000896

Fc1ccc(-c2cncc(N3CCN(c4ccccn4)CC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.58
DRD3 P35462 6/20 0.58
DRD4 P21917 3/20 0.58
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
HTR1A P08908 3/20 0.48
ADRA2C P18825 3/20 0.48
DRD1 P21728 3/20 0.48
DRD5 P21918 3/20 0.48
HTR2A P28223 3/20 0.48
HTR7 P34969 3/20 0.48

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
SCHEMBL5003471 0.87 MAPT (0.54) ACHEBACE1MAPTLMNAKDM4E
SCHEMBL4997684 0.87 BCHE (0.54) DRD2DRD3DRD4BCHEACHE
SCHEMBL5003444 0.86 DRD4 (0.49) DRD2DRD3DRD4BCHEACHE
SCHEMBL5000692 0.84 NPC1 (0.53) DRD2DRD3DRD4MAPTLMNA
SCHEMBL5000610 0.84 SORD (0.51) DRD2DRD3DRD4MAPTLMNA
SCHEMBL4997696 0.84 CHEK1 (0.53) DRD2DRD3DRD4BCHEACHE
SCHEMBL4995301 0.84 MAPK1 (0.51) DRD2DRD3DRD4MAPTLMNA
SCHEMBL4992059 0.83 POLB (0.51) DRD2DRD3DRD4MAPTLMNA
SCHEMBL5003221 0.83 BCHE (0.57) DRD2DRD3DRD4BCHEACHE
SCHEMBL4997065 0.82 MEN1 (0.54) DRD2DRD3DRD4MAPTLMNA

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 DRD2 2334/4885DRD3 2695/4885DRD4 1805/4885

“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.