SCHEMBL5003407

SCHEMBL5003407

c1cncc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PIM2 Q9P1W9 4/20 0.43
ROCK1 Q13464 1/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MAPT P10636 1/20 0.42
CHKA P35790 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
RAD52 P43351 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
SCHEMBL4997181 0.89 MAPT (0.47) ALDH1A1TSHRHSD17B10PIM2ROCK1
SCHEMBL4997537 0.82 CYP11B1 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL4997813 0.82 PIK3CA (0.55) PIM2PIK3CAPIK3CBPIK3CGRAD52
SCHEMBL4987364 0.82 HRH2 (0.48) ALDH1A1PIM2MAPTRAD52
SCHEMBL4996922 0.82 PIM2 (0.47) TSHRHSD17B10PIM2MAPTRAD52
SCHEMBL4993281 0.81 MAPT (0.54) ALDH1A1TSHRHSD17B10PIM2MAPT
SCHEMBL5003462 0.81 MAPT (0.47) MAPTCHKA
SCHEMBL4997459 0.81 CHEK1 (0.45) PIM2ROCK1PIK3CAPIK3CBPIK3CG
SCHEMBL5000847 0.81 CHEK1 (0.46) ROCK1MAPTCHKA
SCHEMBL4995533 0.81 NPC1 (0.47) ALDH1A1ROCK1MAPTCHKA

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 CYP3A4 884/4885CYP2D6 1719/4885CYP1A2 743/4885

“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.