SCHEMBL4997591

SCHEMBL4997591

Fc1ccc(N2CCN(c3cncc(-c4ccc5ccccc5c4)n3)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PIM2 Q9P1W9 5/20 0.42
PIM1 P11309 4/20 0.42
PIM3 Q86V86 4/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPK11 Q15759 6/20 0.39
MAPK14 Q16539 6/20 0.39
CSNK1D P48730 5/20 0.39

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
SCHEMBL5000701 0.90 LMNA (0.51) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL5000846 0.87 CYP11B1 (0.47) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL4996961 0.85 MEN1 (0.51) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL5003086 0.84 CYP11B1 (0.47) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL4991829 0.84 CYP11B1 (0.46) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL4997778 0.82 PIM1 (0.49) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL5003458 0.81 PHGDH (0.46) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL4991687 0.81 CYP11B1 (0.43) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL5003173 0.81 CYP11B1 (0.44) CYP11B1CYP11B2PIM2PIM1PIM3
SCHEMBL4992408 0.81 CYP11B1 (0.44) 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 112/4885PIM2 1679/4885

“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.