SCHEMBL2979588

SCHEMBL2979588

COC(=O)c1cnc(N2CCc3[nH]c4ccc(-c5cccc(CN6CCOCC6)c5)cc4c3C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
CHEK1 O14757 1/20 0.43
CDK7 P50613 1/20 0.43
ACHE P22303 2/20 0.42
KDR P35968 1/20 0.41
AKR1B1 P15121 1/20 0.41
CHRM3 P20309 1/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PARP1 P09874 1/20 0.40
LIMK2 P53671 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
AOC3 Q16853 3/20 0.39

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
SCHEMBL2978995 0.92 CHRM3 (0.50) ACHEAKR1B1CHRM3HDAC1HDAC6
SCHEMBL2970778 0.91 BAZ2B (0.42) CHEK1ACHEKDRAKR1B1CHRM3
SCHEMBL2979298 0.90 HDAC6 (0.50) TLR8TLR7ACHEAKR1B1CNR1
SCHEMBL2976043 0.90 MAP3K11 (0.42) TLR8TLR7ACHEAKR1B1CHRM3
SCHEMBL2978935 0.90 ACHE (0.40) TLR8TLR7ACHEKDRAKR1B1
SCHEMBL2978678 0.88 SIRT2 (0.43) ACHEAKR1B1HDAC1HDAC6SIRT2
SCHEMBL8259645 0.88 TBK1 (0.43) TBK1
SCHEMBL2978156 0.88 CHRM3 (0.42) ACHECHRM3ROCK1HDAC1HDAC6
SCHEMBL2980332 0.86 HDAC1 (0.47) CHEK1ACHEAKR1B1HDAC1HDAC6
SCHEMBL8260683 0.85 HDAC6 (0.47) TLR8TLR7AKR1B1CNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 TLR8 4457/4885TLR7 4350/4885CHEK1 1372/4885

“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.