SCHEMBL4491935

SCHEMBL4491935

CSCCCCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.36
CHUK O15111 6/20 0.36
IKBKG Q9Y6K9 6/20 0.36
KCNH2 Q12809 2/20 0.35
AKT3 Q9Y243 4/20 0.33
CDK4 P11802 4/20 0.32
KDR P35968 2/20 0.32
CDK1 P06493 3/20 0.32
CCNB1 P14635 3/20 0.32
CCNA2 P20248 3/20 0.32
CCND1 P24385 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL3476317 0.97 IKBKB (0.35) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL3471874 0.88 AKT3 (0.37) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL4481574 0.88 IKBKB (0.37) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL3475889 0.88 IKBKB (0.46) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL3471336 0.88 KDR (0.40) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL3471075 0.87 AKT3 (0.37) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL3477954 0.87 IKBKB (0.38) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL4492547 0.87 IKBKB (0.43) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL3470336 0.87 KCNH2 (0.37) IKBKBCHUKIKBKGKCNH2AKT3
SCHEMBL13633566 0.86 IKBKB (0.45) IKBKBCHUKIKBKGKCNH2AKT3

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 7 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
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.