SCHEMBL4994785

SCHEMBL4994785

Clc1cccc(N2CCN(c3cncc(-c4ccc5ccccc5c4)n3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
PIM2 Q9P1W9 3/20 0.43
RAD52 P43351 1/20 0.43
DHFR P00374 1/20 0.43
DRD2 P14416 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTR7 P34969 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
SCHEMBL5003429 0.88 KDM4E (0.51) SLC6A4PIM2RAD52DRD3MAPT
SCHEMBL5000893 0.88 ABCG2 (0.52) MEN1KMT2AGAAGFERABCG2
SCHEMBL4993263 0.88 MAPT (0.47) GAAPIM2RAD52ALDH1A1LMNA
SCHEMBL4997668 0.85 NPC1 (0.58) GFERABCG2RAD52DHFRDRD2
SCHEMBL5000719 0.85 CYP11B1 (0.47) MEN1KMT2AGAAGFERABCG2
SCHEMBL5000830 0.85 MEN1 (0.45) SLC6A2SLC6A4MEN1KMT2AGAA
SCHEMBL4993619 0.85 DHFR (0.46) MEN1KMT2AGAAGFERPIM2
SCHEMBL4994089 0.83 NPSR1 (0.47) PIM2DHFRDRD2ADRA1ADRD3
SCHEMBL4992241 0.83 ALDH1A1 (0.53) MEN1KMT2APIM2RAD52ALDH1A1
SCHEMBL4995140 0.83 CSNK1D (0.49) PIM2RAD52

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 SLC6A2 3148/4885SLC6A4 3330/4885MEN1 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.