SCHEMBL3477541

SCHEMBL3477541

CC(C)NCCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.36
CCND1 P24385 7/20 0.36
CDK1 P06493 7/20 0.36
CCNA2 P20248 7/20 0.36
CDK2 P24941 7/20 0.36
CCNB1 P14635 6/20 0.36
CCNA1 P78396 6/20 0.36
CCND3 P30281 4/20 0.36
CDK6 Q00534 4/20 0.36
CCNE1 P24864 2/20 0.36
KCNH2 Q12809 1/20 0.35
AKT3 Q9Y243 1/20 0.35
IKBKB O14920 7/20 0.34
CHUK O15111 6/20 0.34
IKBKG Q9Y6K9 6/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RET P07949 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31

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
SCHEMBL4478692 0.86 KCNH2 (0.35) CDK4CCND1CDK1CCNA2CDK2
SCHEMBL4492547 0.86 IKBKB (0.43) CDK4CCND1CDK1CCNA2CDK2
SCHEMBL3470336 0.86 KCNH2 (0.37) CDK4CCND1CDK1CCNA2CDK2
SCHEMBL3471336 0.85 KDR (0.40) CDK4CCND1CDK1CCNA2CDK2
SCHEMBL3473587 0.85 MAPK8 (0.35) CDK4CCND1CDK1CCNA2CDK2
SCHEMBL3472846 0.85 AKT3 (0.39) AKT3IKBKBCHUKIKBKGGAA
SCHEMBL3478297 0.84 AKT3 (0.39) CDK4CCND1CDK1CCNA2CDK2
SCHEMBL3477954 0.84 IKBKB (0.38) CDK4CCND1CDK1CCNA2CDK2
SCHEMBL4488346 0.84 CDK4 (0.37) CDK4CCND1CDK1CCNA2CDK2
SCHEMBL3477921 0.84 AKT3 (0.39) AKT3IKBKBCHUKIKBKGGAA

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 CDK4 681/4885CCND1 1908/4885CDK1 555/4885

“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.