SCHEMBL3472051

SCHEMBL3472051

CC1(C)CC(Nc2nccc(-c3ccc(C(O)c4ccc(Cl)cc4)s3)n2)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.41
MAPK8 P45983 4/20 0.37
MAPK9 P45984 3/20 0.37
MAPK10 P53779 3/20 0.37
KCNH2 Q12809 2/20 0.35
MAPK1 P28482 4/20 0.35
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
MAPK3 P27361 2/20 0.35
EIF2AK2 P19525 1/20 0.35
AKT3 Q9Y243 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL4484868 0.83 KCNH2 (0.37) IKBKBMAPK8MAPK9MAPK10KCNH2
SCHEMBL3470921 0.83 IKBKB (0.51) IKBKBMAPK8MAPK9MAPK10KCNH2
SCHEMBL4489828 0.81 CDK1 (0.41) IKBKBMAPK8MAPK9MAPK10KCNH2
SCHEMBL4491192 0.81 IKBKB (0.41) IKBKBMAPK8MAPK9MAPK10KCNH2
SCHEMBL27657166 0.81 KCNH2 (0.38) MAPK8MAPK9MAPK10KCNH2CDK2
SCHEMBL3478664 0.79 CDK1 (0.40) IKBKBMAPK8MAPK9MAPK10KCNH2
SCHEMBL3477986 0.79 KCNH2 (0.34) IKBKBMAPK10KCNH2CDK2CCNA2
SCHEMBL27657167 0.79 KCNH2 (0.36) IKBKBKCNH2CDK2CCNA2
SCHEMBL4488346 0.77 CDK4 (0.37) IKBKBKCNH2MAPK1CDK2CCNA2
SCHEMBL4487841 0.76 KCNH2 (0.40) IKBKBKCNH2CDK2CCNA2EIF2AK2

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 11 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-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 2/4885MAPK8 197/4885MAPK9 148/4885

“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.