SCHEMBL211407

SCHEMBL211407

CSc1ncc(C(N)=O)c(NCc2ccc(C(=O)N(N)c3ccccc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 9/20 0.48
JAK3 P52333 7/20 0.45
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL12904539 0.85 STAT6 (0.58) STAT6JAK3JAK2JAK1THRB
SCHEMBL211691 0.85 STAT6 (0.50) STAT6JAK3JAK2JAK1THRB
SCHEMBL210144 0.80 PDE4B (0.48) STAT6JAK3JAK2
SCHEMBL211406 0.78 HDAC1 (0.63)
SCHEMBL7126529 0.78 JAK3 (0.58) STAT6JAK3JAK2JAK1THRB
SCHEMBL1522370 0.77 PPARG (0.62) STAT6THRBRXFP1
SCHEMBL445955 0.71 ALDH1A1 (0.65) SYK
SCHEMBL12904999 0.71 JAK2 (0.60) STAT6JAK3JAK2JAK1SYK
SCHEMBL1313173 0.71 MAPK8 (0.58) STAT6SYK
SCHEMBL14456094 0.70 AGTR1 (0.53) STAT6JAK3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 STAT6 2060/4885JAK3 2683/4885JAK2 1644/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 STAT6 1594/4885JAK3 2781/4885JAK2 1650/4885

“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.