SCHEMBL5003013

SCHEMBL5003013

N#Cc1ccccc1N1CCN(c2cncc(-c3ccc(F)c(Cl)c3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.60
CYP11B1 P15538 11/20 0.60
TACR3 P29371 1/20 0.43
PIM1 P11309 3/20 0.40
PIM3 Q86V86 3/20 0.40
PIM2 Q9P1W9 3/20 0.40
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
CNR1 P21554 1/20 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
SCHEMBL4997494 0.87 CYP11B2 (0.52) CYP11B2CYP11B1TACR3MAPTNPSR1
SCHEMBL5003151 0.82 MAPT (0.50) CYP11B2CYP11B1TACR3MAPTLMNA
SCHEMBL5003086 0.81 CYP11B1 (0.47) CYP11B2CYP11B1PIM1PIM3PIM2
SCHEMBL5000719 0.78 CYP11B1 (0.47) CYP11B2CYP11B1PIM1PIM3PIM2
SCHEMBL4992156 0.78 CYP11B1 (0.49) CYP11B2CYP11B1PIM1PIM3PIM2
SCHEMBL4992899 0.78 CYP11B1 (0.45) CYP11B2CYP11B1PIM1PIM3PIM2
SCHEMBL5000472 0.76 CYP11B1 (0.53) CYP11B2CYP11B1PIM1PIM3PIM2
SCHEMBL20460041 0.75 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL4997662 0.74 CYP11B1 (0.46) CYP11B2CYP11B1PIM1PIM3PIM2
SCHEMBL5000701 0.74 LMNA (0.51) CYP11B2CYP11B1PIM1PIM3PIM2

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 CYP11B2 112/4885CYP11B1 132/4885TACR3 4435/4885

“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.