Sugi Predict

Sugi Predict / Compounds / SCHEMBL4495433

SCHEMBL4495433

SCHEMBL4495433

CC1(C)CC(Nc2nccc(-c3ccc(CCC(=O)c4ccccc4)s3)n2)CC(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 2/20 0.38
▸ AKT3 Q9Y243 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ INCENP Q9NQS7 1/20 0.37
▸ IKBKB O14920 6/20 0.37
▸ CHUK O15111 6/20 0.37
▸ IKBKG Q9Y6K9 6/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL16192844 0.90 RPS6KB2 (0.38) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL13638580 0.88 IKBKB (0.35) AKT3AURKATTKAURKBINCENP
SCHEMBL4484550 0.88 IKBKB (0.39) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3476455 0.86 IKBKB (0.37) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3477564 0.86 RPS6KB2 (0.44) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL4493888 0.86 RPS6KB2 (0.40) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL13633702 0.83 IKBKB (0.42) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3472509 0.83 AKT3 (0.41) AKT3IKBKBCHUKIKBKGKCNH2
SCHEMBL3472846 0.83 AKT3 (0.39) AKT3IKBKBCHUKIKBKGGAA
SCHEMBL4487091 0.82 ALOX15 (0.38) 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 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 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
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 EZH2 3239/4885AKT3 678/4885AURKA 1220/4885

“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.