SCHEMBL368809

SCHEMBL368809

COC(=O)c1nc2c(N3CCN(C(=O)OC(C)(C)C)CC3=O)cc(N3CCCCC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
PDE7A Q13946 1/20 0.38
TLR9 Q9NR96 4/20 0.37
TLR7 Q9NYK1 2/20 0.37
P2RX7 Q99572 1/20 0.37
GCK P35557 1/20 0.36
ACHE P22303 1/20 0.36
SLC2A1 P11166 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
P2RX3 P56373 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
YAP1 P46937 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
SCHEMBL367324 0.99 PDE4B (0.38) PDE4BPDE7ATLR9TLR7P2RX7
SCHEMBL369852 0.96 TLR9 (0.41) PDE4BPDE7ATLR9TLR7P2RX7
SCHEMBL15092068 0.94 TLR9 (0.43) PDE4BPDE7ATLR9TLR7P2RX7
SCHEMBL369542 0.93 MRGPRX4 (0.38) PDE4BPDE7ATLR9TLR7P2RX7
SCHEMBL368710 0.89 TLR9 (0.40) PDE4BPDE7ATLR9TLR7GCK
SCHEMBL368745 0.89 TLR9 (0.37) PDE4BPDE7ATLR9TLR7P2RX7
SCHEMBL10071000 0.89 PDE4B (0.41) PDE4BPDE7ATLR9TLR7P2RX7
SCHEMBL10069923 0.88 PDE4B (0.41) PDE4BPDE7ATLR9TLR7P2RX7
SCHEMBL368701 0.88 TP53 (0.40) PDE4BPDE7ATLR9P2RX7ACHE
SCHEMBL15097397 0.88 MAPK1 (0.37) KITFLT3MEN1KMT2A

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 PDE4B 209/4885PDE7A 200/4885TLR9 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.