SCHEMBL4992408

SCHEMBL4992408

CSc1ccc(-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 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PHGDH O43175 1/20 0.37
PIM2 Q9P1W9 3/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
AXL P30530 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK11 Q15759 4/20 0.35
MAPK14 Q16539 4/20 0.35
MAPK13 O15264 3/20 0.35
GCGR P47871 3/20 0.35
MAPK12 P53778 3/20 0.35

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) CYP11B1CYP11B2PHGDHPIM2PIM1
SCHEMBL5000656 0.86 MAPT (0.49) CYP11B1CYP11B2ALDH1A1PIM2PIM1
SCHEMBL4995356 0.84 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1PHGDHPIM2
SCHEMBL5002996 0.84 LMNA (0.49) CYP11B1CYP11B2ALDH1A1L3MBTL1DRD2
SCHEMBL4997778 0.83 PIM1 (0.49) CYP11B1CYP11B2ALDH1A1PIM2PIM1
SCHEMBL5003458 0.83 PHGDH (0.46) CYP11B1CYP11B2PHGDHPIM2PIM1
SCHEMBL4995405 0.83 L3MBTL1 (0.46) CYP11B1CYP11B2ALDH1A1L3MBTL1DYRK1A
SCHEMBL4991687 0.83 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1L3MBTL1AXL
SCHEMBL5003173 0.82 CYP11B1 (0.44) CYP11B1CYP11B2PHGDHPIM2PIM1
SCHEMBL5000846 0.81 CYP11B1 (0.47) CYP11B1CYP11B2PIM2PIM1PIM3

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.