SCHEMBL4994571

SCHEMBL4994571

Fc1cccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
PIM2 Q9P1W9 10/20 0.44
RAD52 P43351 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PIM1 P11309 5/20 0.44
PIM3 Q86V86 4/20 0.44
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL5000846 0.90 CYP11B1 (0.47) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4992191 0.86 MAPT (0.54) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL5000701 0.85 LMNA (0.51) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4997488 0.85 LMNA (0.50) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4991836 0.85 PIM2 (0.48) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL4997577 0.85 CYP11B2 (0.53) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL20460140 0.84 CYP11B1 (0.60) MAPTCYP11B1CYP11B2PIM2RAD52
SCHEMBL5003397 0.84 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTNFKB1NFKB2
SCHEMBL5003444 0.83 DRD4 (0.49) SMN1; SMN2LMNAMAPTCYP11B1CYP11B2
SCHEMBL5003421 0.82 MEN1 (0.50) LMNAMAPTCYP11B1CYP11B2DRD2

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 SMN1; SMN2 896/4885LMNA 2743/4885MAPT 5/4885

“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.