SCHEMBL4995183

SCHEMBL4995183

Fc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
MAOA P21397 2/20 0.41
FAAH O00519 3/20 0.41
CHKA P35790 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 1/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
CSNK1D P48730 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL5003221 0.83 BCHE (0.57) DPP4DPP8DPP9DPP7FAAH
SCHEMBL3268649 0.82 PIM2 (0.51) CYP11B1CYP11B2DPP4MEN1KMT2A
SCHEMBL4995533 0.82 NPC1 (0.47) CYP11B1CYP11B2CHKAMEN1NPC1
SCHEMBL5000659 0.81 PKM (0.41) CYP11B1CYP11B2ACHEBACE1MAPT
SCHEMBL4997537 0.80 CYP11B1 (0.46) CYP11B1CYP11B2MEN1NPC1RAB9A
SCHEMBL4992156 0.76 CYP11B1 (0.49) CYP11B1CYP11B2PIM1PIM3PIM2
SCHEMBL4997575 0.75 CYP11B2 (0.52) CYP11B1CYP11B2MEN1NPC1RAB9A
SCHEMBL3268897 0.74 CKS1B (0.48) FAAHSMN1; SMN2MAPT
SCHEMBL5003463 0.74 CYP11B2 (0.49) CYP11B2CHKAMEN1NPC1RAB9A
SCHEMBL4997065 0.74 MEN1 (0.54) CYP11B1CYP11B2MEN1NPC1RAB9A

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 CYP11B1 132/4885CYP11B2 112/4885DPP4 699/4885

“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.