SCHEMBL16201654

SCHEMBL16201654

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.37
TLR8 Q9NR97 10/20 0.37
TLR7 Q9NYK1 10/20 0.37
DYRK1A Q13627 1/20 0.34
HTR6 P50406 2/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL16201646 0.80 HRH1 (0.34) TLR9TLR8TLR7HTR6HRH1
SCHEMBL16201641 0.78 FEN1 (0.36) TLR9TLR8TLR7DYRK1A
SCHEMBL16201631 0.77 MTNR1A (0.45) HTR6HRH1
SCHEMBL16201633 0.76 TLR8 (0.38) TLR9TLR8TLR7
SCHEMBL16201655 0.74 PDE4A (0.41) TLR9TLR8TLR7
SCHEMBL16201637 0.72 FEN1 (0.35) TLR9TLR8TLR7
SCHEMBL16201632 0.69 FEN1 (0.35) TLR9TLR8TLR7
SCHEMBL16201636 0.69 PDE4A (0.36) TLR9TLR8TLR7
SCHEMBL29302055 0.68 FEN1 (0.44) TLR9TLR8TLR7DYRK1A
SCHEMBL14995760 0.67 HDAC6 (0.48)

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 TLR9 1837/4885TLR8 2001/4885TLR7 2074/4885

“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.