SCHEMBL13638432

SCHEMBL13638432

C=C1CC(Nc2nccc(-c3ccc(CCCC(=O)OC)s3)n2)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.39
CHUK O15111 6/20 0.39
IKBKG Q9Y6K9 6/20 0.39
RPS6KB2 Q9UBS0 1/20 0.36
HPGD P15428 1/20 0.34
JAK2 O60674 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
AKT3 Q9Y243 5/20 0.32
HDAC8 Q9BY41 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK1 P28482 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
SCHEMBL13638578 0.92 IKBKB (0.37) IKBKBCHUKIKBKGRPS6KB2TRPV1
SCHEMBL13633702 0.89 IKBKB (0.42) IKBKBCHUKIKBKGRPS6KB2HPGD
SCHEMBL13638522 0.87 IKBKB (0.36) IKBKBCHUKIKBKGAKT3MAPK8
SCHEMBL13638456 0.87 IKBKB (0.42) IKBKBCHUKIKBKGAKT3MAPK1
SCHEMBL13638303 0.87 IKBKB (0.43) IKBKBCHUKIKBKGAKT3
SCHEMBL13638661 0.87 RPS6KB2 (0.38) RPS6KB2HPGDJAK2MAPK8MAPK9
SCHEMBL13638292 0.87 KDR (0.37) IKBKBCHUKIKBKGAKT3
SCHEMBL13638429 0.86 IKBKB (0.34) IKBKBCHUKIKBKGAKT3MAPK8
SCHEMBL13638430 0.86 AKT3 (0.36) IKBKBCHUKIKBKGAKT3MAPK8
SCHEMBL13638580 0.85 IKBKB (0.35) IKBKBCHUKIKBKGRPS6KB2HPGD

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.