SCHEMBL16201641

SCHEMBL16201641

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.36
TLR9 Q9NR96 11/20 0.36
TLR8 Q9NR97 11/20 0.36
TLR7 Q9NYK1 11/20 0.36
PIM1 P11309 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
DYRK1A Q13627 1/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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 0.81 FEN1 (0.35) FEN1TLR9TLR8TLR7CDK5
SCHEMBL16201637 0.81 FEN1 (0.35) FEN1TLR9TLR8TLR7PIM1
SCHEMBL16201654 0.78 TLR9 (0.37) TLR9TLR8TLR7DYRK1A
SCHEMBL16201627 0.78 CHRNA7 (0.37)
SCHEMBL16201655 0.77 PDE4A (0.41) FEN1TLR9TLR8TLR7CDK5
SCHEMBL16201633 0.76 TLR8 (0.38) FEN1TLR9TLR8TLR7PDE4A
SCHEMBL16201636 0.73 PDE4A (0.36) FEN1TLR9TLR8TLR7PIM1
SCHEMBL16201646 0.72 HRH1 (0.34) FEN1TLR9TLR8TLR7
SCHEMBL29302055 0.66 FEN1 (0.44) FEN1TLR9TLR8TLR7DYRK1A
SCHEMBL16201634 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 FEN1 4792/4885TLR9 1837/4885TLR8 2001/4885

“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.