SCHEMBL4991693

SCHEMBL4991693

CC(=O)c1ccc(-c2cncc(N3CCN(c4cccc(C)c4C)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.49
TSHR P16473 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.49
ABCB1 P08183 3/20 0.47
MAPT P10636 5/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 3/20 0.44
PKM P14618 1/20 0.44
PIM2 Q9P1W9 1/20 0.43
CHEK1 O14757 1/20 0.42

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
SCHEMBL5003384 0.90 LMNA (0.51) LMNATSHRSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5003048 0.83 ALDH1A1 (0.53) LMNATSHRSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5003199 0.82 ALDH1A1 (0.48) LMNATSHRSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4996733 0.81 MAPT (0.51) LMNATSHRSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4996877 0.80 NPC1 (0.45) SMN1; SMN2ALDH1A1MAPTMAPK1MEN1
SCHEMBL4993330 0.80 CHEK1 (0.57) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4997188 0.79 HRH3 (0.53) LMNAL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL5003418 0.78 CHEK1 (0.55) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL5000689 0.78 MAPT (0.53) LMNATSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL4996829 0.78 ALDH1A1 (0.50) LMNATSHRSMN1; SMN2L3MBTL1ALDH1A1

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 LMNA 2743/4885TSHR 2332/4885SMN1; SMN2 896/4885

“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.