SCHEMBL5003192

SCHEMBL5003192

NC(=O)c1ccccc1-c1cncc(N2CCN(c3ccncc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
PARP1 P09874 1/20 0.39
BCAT2 O15382 1/20 0.38
SYK P43405 1/20 0.38
INSR P06213 1/20 0.38
ALK Q9UM73 1/20 0.38
NPY2R P49146 1/20 0.38
CYP11B2 P19099 1/20 0.38
PIM2 Q9P1W9 3/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CDC7 O00311 1/20 0.37
CDK9 P50750 1/20 0.37
NPC1 O15118 1/20 0.37
AOC3 Q16853 2/20 0.36

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
SCHEMBL4997015 0.88 NPY2R (0.42) CHEK1NPY2RPIM2ROCK2ROCK1
SCHEMBL5003463 0.79 CYP11B2 (0.49) CYP11B2ALDH1A1LMNANPC1
SCHEMBL5002823 0.79 CHEK1 (0.67) CHEK1PIM2ROCK2ROCK1
SCHEMBL4992025 0.78 NPC1 (0.47) CHEK1ALDH1A1LMNANPC1
SCHEMBL4997022 0.78 CHEK1 (0.51) CHEK1PIM2
SCHEMBL4993024 0.78 RIPK3 (0.44) CYP11B2PIM2ALDH1A1LMNANPC1
SCHEMBL4997565 0.76 MAPT (0.42) ALDH1A1LMNANPC1
SCHEMBL4997181 0.76 MAPT (0.47) CHEK1PIM2ROCK2ROCK1ALDH1A1
SCHEMBL10684394 0.74 NPC1 (0.62) RPS6KB1AKT1ALDH1A1TSHRCDC7
SCHEMBL4995136 0.74 CHEK1 (0.67) CHEK1PIM2ALDH1A1NPC1

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 3 patents. 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
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US disclosed
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US disclosed

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 CHEK1 1668/4885RPS6KB1 1574/4885AKT1 3099/4885

“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.