SCHEMBL3478465

SCHEMBL3478465

COc1cc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)sc1CCC(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
IKBKG Q9Y6K9 2/20 0.34
EIF2AK2 P19525 1/20 0.34
EHMT2 Q96KQ7 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
MKNK1 Q9BUB5 2/20 0.32
CDK4 P11802 2/20 0.32
GSK3B P49841 1/20 0.32
MKNK2 Q9HBH9 2/20 0.31
AURKA O14965 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 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
SCHEMBL13638664 0.89 IKBKB (0.33) IKBKBCHUKIKBKGEIF2AK2MKNK1
SCHEMBL3471332 0.83 IKBKB (0.48) KCNH2IKBKBCHUKIKBKGCDK4
SCHEMBL3472914 0.81 IKBKB (0.43) KCNH2IKBKBCHUKIKBKGCDK4
SCHEMBL3470882 0.80 KCNH2 (0.46) KCNH2IKBKBCHUKIKBKGEIF2AK2
SCHEMBL4495249 0.77 IKBKB (0.43) KCNH2IKBKBCHUKCDK4CDK1
SCHEMBL3472300 0.77 IKBKB (0.38) KCNH2IKBKBCHUKIKBKGALDH1A1
SCHEMBL3471283 0.77 KCNH2 (0.36) KCNH2EIF2AK2ALDH1A1MEN1KMT2A
SCHEMBL16199971 0.76 KCNH2 (0.41) KCNH2IKBKBALDH1A1MEN1PKM
SCHEMBL3477817 0.76 IKBKB (0.47) KCNH2IKBKBCHUKIKBKGALDH1A1
SCHEMBL3477093 0.76 KCNH2 (0.48) KCNH2EIF2AK2MKNK1MKNK2HDAC8

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 KCNH2 3073/4885IKBKB 2/4885CHUK 3/4885

“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.