SCHEMBL3471344

SCHEMBL3471344

CC1(C)CC(Nc2nccc(-c3ccc(CCC4(N)CCCCC4)s3)n2)CC(C)(C)N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.34
CHUK O15111 6/20 0.34
IKBKG Q9Y6K9 6/20 0.34
CDK1 P06493 5/20 0.34
CCNB1 P14635 5/20 0.34
CDK4 P11802 3/20 0.34
CCNA2 P20248 3/20 0.34
CCND1 P24385 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
AKT3 Q9Y243 3/20 0.34
KCNH2 Q12809 1/20 0.34
PIK3C3 Q8NEB9 3/20 0.33
CCNE1 P24864 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33
CCNB2 O95067 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
CDC7 O00311 1/20 0.32
PLK4 O00444 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
SCHEMBL3472949 0.86 IKBKB (0.35) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL3470336 0.85 KCNH2 (0.37) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL3477546 0.85 KCNH2 (0.39) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL3477954 0.84 IKBKB (0.38) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL4484890 0.83 KCNH2 (0.37) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL3471874 0.83 AKT3 (0.37) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL3477817 0.83 IKBKB (0.47) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL3471336 0.82 KDR (0.40) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL3471075 0.82 AKT3 (0.37) IKBKBCHUKIKBKGCDK1CCNB1
SCHEMBL4484550 0.82 IKBKB (0.39) 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 12 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-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
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.