SCHEMBL13638664

SCHEMBL13638664

C=C1CC(Nc2nccc(-c3cc(OC)c(CCC(C)(C)O)s3)n2)CC(C)(C)N1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.33
CHUK O15111 2/20 0.33
IKBKG Q9Y6K9 2/20 0.33
EIF2AK2 P19525 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
MKNK1 Q9BUB5 2/20 0.32
CDK4 P11802 1/20 0.31
GSK3B P49841 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL3478465 0.89 KCNH2 (0.37) IKBKBCHUKIKBKGEIF2AK2HDAC8
SCHEMBL13638557 0.85 IKBKB (0.45) IKBKBCHUKIKBKGCDK4
SCHEMBL13638676 0.82 MKNK1 (0.36) IKBKBCHUKIKBKGEIF2AK2HDAC8
SCHEMBL13638458 0.80 IKBKB (0.36) IKBKBCHUKIKBKGCDK4
SCHEMBL13638437 0.80 IKBKB (0.39) IKBKBCHUKHDAC8CDK4
SCHEMBL13638435 0.79 ALDH1A1 (0.32) EIF2AK2HDAC8CDK4
SCHEMBL13638581 0.79 EIF2AK2 (0.40) IKBKBCHUKIKBKGEIF2AK2HDAC8
SCHEMBL13638665 0.79 IKBKB (0.39) IKBKBCHUKIKBKGCDK4
SCHEMBL13638415 0.78 CDK7 (0.34) IKBKBCHUKIKBKG
SCHEMBL14612805 0.77 APP (0.39) MKNK1CDK4GSK3B

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-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK IKBKB 2/4885CHUK 3/4885IKBKG 7/4885

“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.