SCHEMBL4994841

SCHEMBL4994841

CN(C)c1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
CHEK1 O14757 4/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP1A2 P05177 2/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 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
SCHEMBL4992090 0.89 ALDH1A1 (0.48) CHEK1MAPTALDH1A1HPGDNPC1
SCHEMBL5000721 0.88 MAPT (0.45) CHEK1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4993281 0.86 MAPT (0.54) CHEK1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5000864 0.86 RAD52 (0.44) MAPTALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL4996260 0.85 CHEK1 (0.48) CHEK1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4997452 0.83 MAPT (0.45) MAPTALDH1A1GAAHSD17B10KDM4E
SCHEMBL4996338 0.83 MAPT (0.49) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4995465 0.83 MAPT (0.46) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5000692 0.83 NPC1 (0.53) CHEK1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5003424 0.82 MAPT (0.43) CHEK1MAPTALDH1A1HPGDSMN1; SMN2

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 AURKA 1799/4885CHEK1 1668/4885MAPT 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.