SCHEMBL3454907

SCHEMBL3454907

COc1c(Cl)cc2c([nH]c3cnccc32)c1-c1ccnc(C)c1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 18/20 0.56
▸ ICOSLG O75144 8/20 0.56
▸ ICOS Q9Y6W8 8/20 0.56
▸ IKBKB O14920 2/20 0.56
▸ TYK2 P29597 1/20 0.56
▸ CLK1 P49759 1/20 0.56
▸ CLK2 P49760 1/20 0.56
▸ DYRK1A Q13627 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ PI4KB Q9UBF8 1/20 0.56
▸ MEN1 O00255 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ IKBKG Q9Y6K9 1/20 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
SCHEMBL30342051 0.73 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1796756 0.73 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253008 0.73 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1801372 0.72 ICOSLG (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30492167 0.72 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30039188 0.72 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1420073 0.72 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30342072 0.72 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13315615 0.71 CHUK (0.69) CHUKICOSLGICOSIKBKBTYK2
Hydrochloric Acid SCHEMBL18114522 0.71 CHUK (0.98) CHUKICOSLGICOSIKBKBTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758522-B2 Small molecule analogs of the nemo binding peptide THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-01 — — US disclosed
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-06-21 — — US disclosed
EP-3302468-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE The Scripps Research Institute (US) 2018-04-11 — — EP disclosed
WO-2016196117-A1 SMALL MOLECULE ANALOGS OF THE NEMO BINDING PEPTIDE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-08 — — WO disclosed
WO-2008148016-A9 INHIBITING THE SIGNS OF AGING BY INHIBITING NF-KAPPA B ACTIVATION UNIVERSITY OF PITTSBURGH- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-11-18 — — WO disclosed
US-20090075902-A1 INHIBITING THE SIGNS OF AGING BY INHIBITING NF-KAPPA B ACTIVATION UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-03-19 — — US disclosed
WO-2008148016-A1 INHIBITING THE SIGNS OF AGING BY INHIBITING NF-KAPPA B ACTIVATION UNIVERSITY OF PITTSBURGH- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-12-04 — — 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-10758522-B2 Small molecule analogs of the nemo binding peptide IKBKG, NFKBIA, NFKB1 CHUK 15/4885ICOSLG 1787/4885ICOS 463/4885
US-20180169078-A1 Small Molecule Analogs of the Nemo Binding Peptide IKBKG, NFKBIA, NFKB1 CHUK 15/4885ICOSLG 1787/4885ICOS 463/4885

“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.

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