SCHEMBL16201655

SCHEMBL16201655

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.41
FEN1 P39748 1/20 0.37
TLR9 Q9NR96 6/20 0.34
TLR8 Q9NR97 6/20 0.34
TLR7 Q9NYK1 6/20 0.34
GRM5 P41594 1/20 0.33
KAT2B Q92831 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL16201632 0.82 FEN1 (0.35) PDE4AFEN1TLR9TLR8TLR7
SCHEMBL16201628 0.79 PDE4A (0.36) PDE4A
SCHEMBL16201641 0.77 FEN1 (0.36) PDE4AFEN1TLR9TLR8TLR7
SCHEMBL16201654 0.74 TLR9 (0.37) TLR9TLR8TLR7
SCHEMBL16201637 0.74 FEN1 (0.35) PDE4AFEN1TLR9TLR8TLR7
SCHEMBL16201636 0.71 PDE4A (0.36) PDE4AFEN1TLR9TLR8TLR7
SCHEMBL16201646 0.70 HRH1 (0.34) FEN1TLR9TLR8TLR7
SCHEMBL30730837 0.69 HRH3 (0.41) FEN1GRM5CYP1A2CYP2C19
SCHEMBL29302055 0.67 FEN1 (0.44) PDE4AFEN1TLR9TLR8TLR7
SCHEMBL16201633 0.67 TLR8 (0.38) PDE4AFEN1TLR9TLR8TLR7

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 PDE4A 2505/4885FEN1 4792/4885TLR9 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.