SCHEMBL3471075

SCHEMBL3471075

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 2/20 0.37
IKBKB O14920 6/20 0.37
CHUK O15111 5/20 0.37
IKBKG Q9Y6K9 5/20 0.37
KCNH2 Q12809 1/20 0.35
CDK1 P06493 3/20 0.34
CDK4 P11802 3/20 0.34
CCNB1 P14635 3/20 0.34
CCNA2 P20248 2/20 0.34
CCND1 P24385 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
KDR P35968 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNB3 Q8WWL7 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
SCHEMBL3471874 0.99 AKT3 (0.37) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3477954 0.96 IKBKB (0.38) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3470336 0.94 KCNH2 (0.37) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3475889 0.89 IKBKB (0.46) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL4481574 0.89 IKBKB (0.37) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3471336 0.89 KDR (0.40) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3472509 0.89 AKT3 (0.41) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL4492547 0.88 IKBKB (0.43) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL13638306 0.88 IKBKB (0.34) AKT3IKBKBCHUKIKBKGCDK1
SCHEMBL3477546 0.88 KCNH2 (0.39) AKT3IKBKBCHUKIKBKGKCNH2

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 AKT3 678/4885IKBKB 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.