SCHEMBL369542

SCHEMBL369542

COC(=O)c1nc2c(N3CCN(C(=O)OC(C)(C)C)CC3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.38
PIK3CD O00329 1/20 0.37
TLR9 Q9NR96 4/20 0.36
P2RX7 Q99572 6/20 0.36
USP30 Q70CQ3 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
GCK P35557 1/20 0.35
ACHE P22303 1/20 0.35
SLC2A1 P11166 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL369852 0.95 TLR9 (0.41) TLR9P2RX7TLR7PDE4BPDE7A
SCHEMBL367324 0.94 PDE4B (0.38) TLR9P2RX7TLR7PDE4BPDE7A
SCHEMBL368809 0.93 PDE4B (0.38) TLR9P2RX7TLR7PDE4BPDE7A
SCHEMBL15092068 0.93 TLR9 (0.43) TLR9P2RX7TLR7PDE4BPDE7A
SCHEMBL369174 0.90 LRRK2 (0.39) TLR9TLR7PDE4BPDE7AGPR119
SCHEMBL10070065 0.89 PDE4B (0.39) PIK3CDTLR9P2RX7USP30TLR7
SCHEMBL368141 0.88 MRGPRX4 (0.42) MRGPRX4
SCHEMBL368710 0.88 TLR9 (0.40) TLR9TLR7PDE4BPDE7AGCK
SCHEMBL368745 0.88 TLR9 (0.37) TLR9P2RX7TLR7PDE4BPDE7A
SCHEMBL369242 0.86 TLR9 (0.40) TLR9P2RX7TLR7KITFLT3

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-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 MRGPRX4 313/4885PIK3CD 1454/4885TLR9 177/4885

“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.