SCHEMBL5000689

SCHEMBL5000689

CC(=O)c1ccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CHEK1 O14757 2/20 0.47
HTR7 P34969 1/20 0.47
PIM2 Q9P1W9 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CHEK2 O96017 1/20 0.44

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
SCHEMBL5002971 0.91 PIM2 (0.50) MAPTHTTLMNARXFP1PIM2
SCHEMBL4997580 0.89 CHEK1 (0.57) CHEK1HTR7PIM2CHEK2
SCHEMBL4993619 0.86 DHFR (0.46) MAPTPIM2MEN1KMT2A
SCHEMBL5000893 0.85 ABCG2 (0.52) MAPTLMNARXFP1HTR7PIM2
SCHEMBL5000830 0.84 MEN1 (0.45) MAPTHTTLMNAHTR7MEN1
SCHEMBL5000803 0.83 THRB (0.44) MAPTHTTLMNAPIM2MEN1
SCHEMBL5000864 0.83 RAD52 (0.44) MAPTLMNAPIM2MEN1KMT2A
SCHEMBL5003018 0.83 PIM2 (0.43) HTR7PIM2MEN1KMT2AALDH1A1
SCHEMBL5003418 0.83 CHEK1 (0.55) MAPTLMNARXFP1CHEK1PIM2
SCHEMBL5000887 0.82 CHEK1 (0.47) MAPTHTTLMNARXFP1CHEK1

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 MAPT 5/4885HTT 347/4885LMNA 2743/4885

“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.