SCHEMBL368745

SCHEMBL368745

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.37
TLR7 Q9NYK1 2/20 0.37
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
YAP1 P46937 2/20 0.36
GCK P35557 1/20 0.36
ACHE P22303 1/20 0.36
SLC2A1 P11166 1/20 0.36
PRMT5 O14744 1/20 0.36
P2RX7 Q99572 1/20 0.35
P2RX3 P56373 1/20 0.35
BACE1 P56817 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34

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 0.90 TLR9 (0.41) TLR9TLR7PDE4BPDE7AMEN1
SCHEMBL368710 0.90 TLR9 (0.40) TLR9TLR7PDE4BPDE7AMEN1
SCHEMBL367324 0.89 PDE4B (0.38) TLR9TLR7PDE4BPDE7AMEN1
SCHEMBL368809 0.89 PDE4B (0.38) TLR9TLR7PDE4BPDE7AMEN1
SCHEMBL15092068 0.88 TLR9 (0.43) TLR9TLR7PDE4BPDE7AMEN1
SCHEMBL10069920 0.88 PDE4B (0.40) PDE4BPDE7ABACE1
SCHEMBL369542 0.88 MRGPRX4 (0.38) TLR9TLR7PDE4BPDE7AGCK
SCHEMBL15097284 0.87 LMNA (0.38) MEN1KMT2ALMNAHPGD
SCHEMBL369124 0.87 TLR9 (0.37) TLR9TLR7PDE4BPDE7AMEN1
SCHEMBL369125 0.87 PRMT5 (0.41) TLR9TLR7PDE4BPDE7AYAP1

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 81/4885PDE4B 209/4885

“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.