SCHEMBL16201633

SCHEMBL16201633

CC(C)c1c2n(c3ncccc13)C(=O)CN(C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.38
TLR7 Q9NYK1 7/20 0.38
TLR9 Q9NR96 6/20 0.38
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
FEN1 P39748 1/20 0.36
PARP1 P09874 2/20 0.35
DAO P14920 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
AURKA O14965 1/20 0.34
PDE2A O00408 1/20 0.34
PDE6D O43924 1/20 0.34
PDE8A O60658 1/20 0.34
PDE5A O76074 1/20 0.34
PDE9A O76083 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
SCHEMBL16201671 0.78 PRKCB (0.34) CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL16201641 0.76 FEN1 (0.36) TLR8TLR7TLR9PDE4APDE4B
SCHEMBL16201654 0.76 TLR9 (0.37) TLR8TLR7TLR9
SCHEMBL16201636 0.75 PDE4A (0.36) TLR8TLR7TLR9PDE4APDE4B
SCHEMBL16201637 0.73 FEN1 (0.35) TLR8TLR7TLR9PDE4APDE4B
SCHEMBL16201632 0.70 FEN1 (0.35) TLR8TLR7TLR9PDE4APDE4B
SCHEMBL16201646 0.69 HRH1 (0.34) TLR8TLR7TLR9FEN1ALDH1A1
SCHEMBL16201655 0.67 PDE4A (0.41) TLR8TLR7TLR9PDE4APDE4B
SCHEMBL29302055 0.66 FEN1 (0.44) TLR8TLR7TLR9PDE4AFEN1
SCHEMBL16201635 0.65

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-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 US 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 TLR8 2001/4885TLR7 2074/4885TLR9 1837/4885

“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.