SCHEMBL3472948

SCHEMBL3472948

CNC(=O)C(C)(C)Cc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.36
CHUK O15111 5/20 0.36
IKBKG Q9Y6K9 5/20 0.36
AKT3 Q9Y243 10/20 0.35
KCNH2 Q12809 1/20 0.33
ROCK2 O75116 3/20 0.33
MAPK10 P53779 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL13638662 0.88 IKBKB (0.33) IKBKBCHUKIKBKGAKT3ROCK2
SCHEMBL3472300 0.87 IKBKB (0.38) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL3476573 0.86 IKBKB (0.37) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL3472016 0.85 IKBKB (0.36) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL3477879 0.82 KCNH2 (0.39) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL16192844 0.81 RPS6KB2 (0.38) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL4484550 0.81 IKBKB (0.39) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL3471332 0.81 IKBKB (0.48) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL4502085 0.81 KCNH2 (0.37) IKBKBCHUKIKBKGAKT3KCNH2
SCHEMBL4481623 0.80 AKT3 (0.38) 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 9 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
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 claimed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 US claimed
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO 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-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
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.