SCHEMBL2325010

SCHEMBL2325010

CC(C)(N)CCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.39
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
MAPK8 P45983 2/20 0.36
ROCK2 O75116 5/20 0.35
KCNH2 Q12809 2/20 0.35
CHUK O15111 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 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
SCHEMBL4474400 0.87 IKBKB (0.43) IKBKBAURKATTKAURKBINCENP
SCHEMBL3477817 0.80 IKBKB (0.47) IKBKBAURKATTKAURKBINCENP
SCHEMBL4482494 0.79 IKBKB (0.37) IKBKBAURKATTKAURKBINCENP
SCHEMBL4495249 0.77 IKBKB (0.43) IKBKBMAPK8ROCK2KCNH2CHUK
SCHEMBL13638532 0.77 IKBKB (0.39) IKBKBAURKATTKAURKBINCENP
SCHEMBL3478250 0.77 IKBKB (0.45) IKBKBAURKATTKAURKBINCENP
SCHEMBL3471613 0.76 IKBKB (0.49) IKBKBAURKATTKAURKBINCENP
SCHEMBL4491349 0.75 IKBKB (0.41) IKBKBAURKATTKAURKBINCENP
SCHEMBL3478406 0.75 IKBKB (0.42) IKBKBAURKATTKAURKBINCENP
SCHEMBL4489709 0.74 IKBKB (0.48) IKBKBAURKATTKAURKBINCENP

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 18 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-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-12-01 US claimed
CN-102216286-A Substituted (pyridyl)-azinylamine derivatives as plant protection agents BAYER CROPSCIENCE SA 2011-10-12 CN claimed
EP-2356102-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-08-17 EP claimed
WO-2010055114-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE SA (FR) 2010-05-20 WO 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
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
CN-102216286-A Substituted (pyridyl)-azinylamine derivatives as plant protection agents BAYER CROPSCIENCE SA 2011-10-12 CN disclosed
EP-2356102-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-08-17 EP disclosed
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO disclosed
WO-2010055114-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE SA (FR) 2010-05-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2/4885AURKA 1220/4885TTK 1484/4885
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS PRXL2A, AZI2, PIR IKBKB 3053/4885AURKA 2272/4885TTK 3763/4885

“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.