SCHEMBL3472016

SCHEMBL3472016

CC1(C)CC(Nc2nccc(-c3ccc(CC(C)(C)C(C)(C)O)s3)n2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.36
CHUK O15111 4/20 0.36
IKBKG Q9Y6K9 4/20 0.36
KCNH2 Q12809 2/20 0.35
MAPK9 P45984 3/20 0.33
CDK4 P11802 3/20 0.32
IDH1 O75874 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNA2 P20248 2/20 0.32
CCND1 P24385 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
IDH2 P48735 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
AKT3 Q9Y243 2/20 0.32
MAPK10 P53779 1/20 0.32
MAPK14 Q16539 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
SCHEMBL3472300 0.92 IKBKB (0.38) IKBKBCHUKIKBKGKCNH2MAPK9
SCHEMBL4485045 0.90 IKBKB (0.41) IKBKBCHUKIKBKGKCNH2MAPK9
SCHEMBL3476573 0.89 IKBKB (0.37) IKBKBCHUKIKBKGKCNH2CDK4
SCHEMBL13638500 0.87 IKBKB (0.33) IKBKBCHUKIKBKGMAPK9CDK4
SCHEMBL3471332 0.86 IKBKB (0.48) IKBKBCHUKIKBKGKCNH2CDK4
SCHEMBL3477879 0.86 KCNH2 (0.39) IKBKBCHUKIKBKGKCNH2MAPK9
SCHEMBL3477817 0.85 IKBKB (0.47) IKBKBCHUKIKBKGKCNH2CDK4
SCHEMBL3472948 0.85 IKBKB (0.36) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL3472914 0.85 IKBKB (0.43) IKBKBCHUKIKBKGKCNH2CDK4
SCHEMBL4482916 0.84 IKBKB (0.36) IKBKBCHUKIKBKGKCNH2CDK4

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 10 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
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.