SCHEMBL4489709

SCHEMBL4489709

CC1(C)CC(Nc2nccc(-c3ccc(O)cc3)n2)CC(C)(C)N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.48
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNH2 Q12809 1/20 0.41
MAPK8 P45983 1/20 0.41
ROCK2 O75116 4/20 0.41
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3471613 0.89 IKBKB (0.49) IKBKBKCNH2MAPK8ROCK2AURKA
SCHEMBL4481480 0.89 IKBKB (0.38) IKBKBKCNH2MAPK8AURKATTK
SCHEMBL3470852 0.88 IKBKB (0.48) IKBKBMEN1KMT2AKCNH2MAPK8
SCHEMBL4488019 0.87 MEN1 (0.48) IKBKBMEN1KMT2AKCNH2MAPK8
SCHEMBL3473827 0.85 IKBKB (0.46) IKBKBKCNH2MAPK8ROCK2AURKA
SCHEMBL3472520 0.85 IKBKB (0.46) IKBKBMEN1KMT2AKCNH2MAPK8
SCHEMBL3472513 0.84 IKBKB (0.46) IKBKBKCNH2MAPK8ROCK2AURKA
SCHEMBL13638440 0.84 IKBKB (0.43) IKBKBMEN1KMT2AMAPK8AURKA
SCHEMBL3474378 0.83 ROCK2 (0.49) IKBKBKCNH2ROCK2HDAC8
SCHEMBL4489766 0.83 IKBKB (0.45) IKBKBKCNH2MAPK8ROCK2

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 disclosed
CN-102267988-A 2-aminopyrimidine derivatives and their medical use NOVARTIS LTD 2011-12-07 CN 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
CN-1802357-A 2-aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2006-07-12 CN disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO 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 2/4885MEN1 4134/4885KMT2A 1582/4885

“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.