SCHEMBL369852

SCHEMBL369852

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.41
TLR7 Q9NYK1 2/20 0.40
P2RX7 Q99572 1/20 0.40
ACHE P22303 1/20 0.40
GPR119 Q8TDV5 6/20 0.40
SLC2A1 P11166 1/20 0.39
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
YAP1 P46937 1/20 0.37
GCK P35557 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 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
SCHEMBL15092068 0.97 TLR9 (0.43) TLR9TLR7P2RX7ACHEGPR119
SCHEMBL367324 0.96 PDE4B (0.38) TLR9TLR7P2RX7ACHEGPR119
SCHEMBL368809 0.96 PDE4B (0.38) TLR9TLR7P2RX7ACHEGPR119
SCHEMBL369542 0.95 MRGPRX4 (0.38) TLR9TLR7P2RX7ACHEGPR119
SCHEMBL368710 0.90 TLR9 (0.40) TLR9TLR7ACHEGPR119SLC2A1
SCHEMBL368745 0.90 TLR9 (0.37) TLR9TLR7P2RX7ACHESLC2A1
SCHEMBL369242 0.89 TLR9 (0.40) TLR9TLR7P2RX7ACHEGPR119
SCHEMBL10069876 0.88 PDE4B (0.40) TLR9TLR7P2RX7GPR119PDE4B
SCHEMBL367968 0.88 TP53 (0.42) TLR9P2RX7ACHEKITFLT3
SCHEMBL369124 0.87 TLR9 (0.37) TLR9TLR7GPR119SLC2A1PDE4B

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 TLR9 177/4885TLR7 81/4885P2RX7 1233/4885

“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.