SCHEMBL4995356

SCHEMBL4995356

CN(C)c1ccc(-c2cncc(N3CCN(c4ccc(F)cc4F)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
APP P05067 3/20 0.39
AXL P30530 1/20 0.38
RAD52 P43351 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PHGDH O43175 1/20 0.37
ADORA2A P29274 1/20 0.36
PIM2 Q9P1W9 3/20 0.36

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
SCHEMBL4991829 0.87 CYP11B1 (0.46) CYP11B1CYP11B2MAPTKDM4EAXL
SCHEMBL4996338 0.86 MAPT (0.49) CYP11B1CYP11B2ALDH1A1CYP1A2HSD17B10
SCHEMBL4992408 0.84 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1MAPTAXL
SCHEMBL4997778 0.83 PIM1 (0.49) CYP11B1CYP11B2ALDH1A1HSD17B10KDM4E
SCHEMBL5003458 0.83 PHGDH (0.46) CYP11B1CYP11B2MAPTAXLRAD52
SCHEMBL4991687 0.83 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1HSD17B10MAPT
SCHEMBL4995405 0.83 L3MBTL1 (0.46) CYP11B1CYP11B2ALDH1A1MAPTHPGD
SCHEMBL5003173 0.82 CYP11B1 (0.44) CYP11B1CYP11B2MAPTKDM4EPHGDH
SCHEMBL5000846 0.81 CYP11B1 (0.47) CYP11B1CYP11B2MAPTRAD52PIM2
SCHEMBL5003086 0.81 CYP11B1 (0.47) CYP11B1CYP11B2AXLRAD52PHGDH

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 CYP11B1 132/4885CYP11B2 112/4885ALDH1A1 1034/4885

“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.