SCHEMBL5000692

SCHEMBL5000692

Fc1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
DRD2 P14416 5/20 0.52
DRD4 P21917 5/20 0.52
DRD3 P35462 5/20 0.52
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47

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
SCHEMBL4997065 0.93 MEN1 (0.54) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL4993281 0.90 MAPT (0.54) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL4995533 0.89 NPC1 (0.47) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL5003465 0.86 MEN1 (0.48) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL4995137 0.86 MEN1 (0.48) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL4996260 0.86 CHEK1 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4996961 0.86 MEN1 (0.51) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL5000680 0.85 PIM1 (0.51) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL4991836 0.85 PIM2 (0.48) NPC1RAB9AMEN1KMT2ADRD2
SCHEMBL5000830 0.85 MEN1 (0.45) MEN1KMT2ADRD2DRD4MAPT

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 NPC1 2008/4885RAB9A 2969/4885MEN1 1557/4885

“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.