SCHEMBL4993281

SCHEMBL4993281

c1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.49
PIM2 Q9P1W9 6/20 0.47
CHEK1 O14757 3/20 0.47
NPSR1 Q6W5P4 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL4997181 0.92 MAPT (0.47) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL4996260 0.90 CHEK1 (0.48) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL5000692 0.90 NPC1 (0.53) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL4996226 0.90 CHEK1 (0.48) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL4995514 0.87 HPGD (0.46) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL5000893 0.86 ABCG2 (0.52) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5000915 0.86 PIM2 (0.51) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL4994841 0.86 AURKA (0.47) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL5000680 0.86 PIM1 (0.51) MAPTALDH1A1HPGDNPC1GAA
SCHEMBL5000619 0.86 MAPT (0.60) MAPTALDH1A1NPC1GAARAB9A

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 MAPT 5/4885ALDH1A1 1034/4885HPGD 1494/4885

“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.