SCHEMBL5000864

SCHEMBL5000864

CN(C)c1ccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
PIM2 Q9P1W9 1/20 0.41
DHFR P00374 2/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL4993619 0.87 DHFR (0.46) RAD52MEN1KMT2AMAPTGAA
SCHEMBL5000721 0.86 MAPT (0.45) RAD52MEN1KMT2AALDH1A1MAPT
SCHEMBL5000893 0.86 ABCG2 (0.52) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4994841 0.86 AURKA (0.47) RAD52LMNAALDH1A1MAPTKDM4E
SCHEMBL5003424 0.85 MAPT (0.43) RAD52MEN1KMT2ALMNAALDH1A1
SCHEMBL5000830 0.85 MEN1 (0.45) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5000803 0.84 THRB (0.44) RAD52MEN1KMT2ALMNAALDH1A1
SCHEMBL4997452 0.84 MAPT (0.45) RAD52KMT2ALMNAALDH1A1MAPT
SCHEMBL5000689 0.83 MAPT (0.53) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4997209 0.83 MAPT (0.56) MEN1KMT2ALMNAALDH1A1MAPT

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 RAD52 1663/4885MEN1 1557/4885KMT2A 4601/4885

“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.