SCHEMBL10069920

SCHEMBL10069920

CCCCOc1c(C(=O)OC)nc2c(N3CCN(C(=O)OC(C)(C)C)CC3=O)cc(Br)cn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
NR1H2 P55055 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ENPP2 Q13822 2/20 0.33
BACE1 P56817 2/20 0.32
KCNH2 Q12809 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MAOB P27338 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GPR4 P46093 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
ADAM17 P78536 1/20 0.31
MAPT P10636 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL10069924 0.89 PDE4B (0.39) PDE4BPDE7ANR1H2PDE3BPDE3A
SCHEMBL10069876 0.89 PDE4B (0.40) PDE4BPDE7ANR1H2PDE3BPDE3A
SCHEMBL10069923 0.89 PDE4B (0.41) PDE4BPDE7ANR1H2PDE3BPDE3A
SCHEMBL368745 0.88 TLR9 (0.37) PDE4BPDE7ABACE1
SCHEMBL10071000 0.88 PDE4B (0.41) PDE4BPDE7ANR1H2PDE3BPDE3A
SCHEMBL15101649 0.88 PDE4B (0.39) PDE4BPDE7ANR1H2PDE3BPDE3A
SCHEMBL10070065 0.87 PDE4B (0.39) PDE4BPDE7AENPP2
SCHEMBL10070937 0.86 PDE4B (0.40) PDE4BPDE7ANR1H2ENPP2MAPT
SCHEMBL10070044 0.86 MMP1 (0.32) MMP1MMP9MMP13
SCHEMBL15101376 0.85 PDE4B (0.39) PDE4BPDE7ANR1H2ENPP2

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 2 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
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 200/4885NR1H2 829/4885

“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.