SCHEMBL13633702

SCHEMBL13633702

COC(=O)CCCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.42
CHUK O15111 6/20 0.42
IKBKG Q9Y6K9 6/20 0.42
RPS6KB2 Q9UBS0 1/20 0.38
HPGD P15428 1/20 0.37
JAK2 O60674 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AKT3 Q9Y243 4/20 0.34
KCNH2 Q12809 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL3477564 0.94 RPS6KB2 (0.44) IKBKBCHUKIKBKGRPS6KB2AKT3
SCHEMBL4493888 0.91 RPS6KB2 (0.40) IKBKBCHUKIKBKGRPS6KB2AKT3
SCHEMBL13638432 0.89 IKBKB (0.39) IKBKBCHUKIKBKGRPS6KB2HPGD
SCHEMBL16192844 0.87 RPS6KB2 (0.38) IKBKBCHUKIKBKGRPS6KB2AKT3
SCHEMBL3478419 0.87 IKBKB (0.47) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL4484550 0.87 IKBKB (0.39) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL4492547 0.87 IKBKB (0.43) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL13633566 0.86 IKBKB (0.45) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL3475889 0.86 IKBKB (0.46) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL3471336 0.86 KDR (0.40) IKBKBCHUKIKBKGAKT3KCNH2

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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP claimed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
CN-102267988-A 2-aminopyrimidine derivatives and their medical use NOVARTIS LTD 2011-12-07 CN disclosed
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
CN-1802357-A 2-aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2006-07-12 CN 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.