SCHEMBL4996840

SCHEMBL4996840

c1ccc(N2CCN(c3cncc(-c4ccoc4)n3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 2/20 0.42
PIM2 Q9P1W9 3/20 0.42
CYP2D6 P10635 2/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40

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
SCHEMBL4997457 0.87 KDM4E (0.46) ALDH1A1MAPTNPC1GAARAB9A
SCHEMBL5003003 0.87 MEN1 (0.46) ALDH1A1MAPTNPC1GAAHTT
SCHEMBL4991995 0.86 MEN1 (0.43) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL4993281 0.84 MAPT (0.54) ALDH1A1MAPTNPC1GAAHPGD
SCHEMBL4996191 0.84 PIM1 (0.45) ALDH1A1MAPTSMN1; SMN2CYP1A2HSD17B10
SCHEMBL4997411 0.84 ALDH1A1 (0.53) ALDH1A1MAPTNPC1RAB9ACYP1A2
SCHEMBL5003393 0.83 KDM4E (0.53) ALDH1A1MAPTHTTSMN1; SMN2HSD17B10
SCHEMBL4995451 0.83 SMN1; SMN2 (0.50) ALDH1A1MAPTNPC1NFKB1NFKB2
SCHEMBL4997068 0.83 DHFR (0.40) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL4991986 0.82 CHEK1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 ALDH1A1 1034/4885MAPT 5/4885NPC1 2008/4885

“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.