SCHEMBL5000893

SCHEMBL5000893

Clc1cccc(N2CCN(c3cncc(-c4ccccc4)n3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.52
PIM2 Q9P1W9 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.47
GFER P55789 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
DHFR P00374 1/20 0.46

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
SCHEMBL5000830 0.89 MEN1 (0.45) ALDH1A1LMNAMAPTHTR1AHTR7
SCHEMBL4993619 0.89 DHFR (0.46) PIM2MAPTMEN1KMT2AGAA
SCHEMBL4994785 0.88 SLC6A2 (0.47) ABCG2PIM2ALDH1A1LMNAMAPT
SCHEMBL4993281 0.86 MAPT (0.54) ABCG2PIM2ALDH1A1LMNAMAPT
SCHEMBL5000864 0.86 RAD52 (0.44) PIM2ALDH1A1LMNAMAPTMEN1
SCHEMBL5003018 0.86 PIM2 (0.43) PIM2ALDH1A1HTR1AHTR7MEN1
SCHEMBL5000803 0.86 THRB (0.44) PIM2ALDH1A1LMNAMAPTMEN1
SCHEMBL4995172 0.86 PIM1 (0.48) PIM2LMNAMAPTMEN1KMT2A
SCHEMBL5003300 0.85 DRD2 (0.46) ABCG2PIM2ALDH1A1LMNAMAPT
SCHEMBL4997580 0.85 CHEK1 (0.57) PIM2HTR1AHTR7GAAGFER

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 ABCG2 1460/4885PIM2 1679/4885ALDH1A1 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.