SCHEMBL3477635

SCHEMBL3477635

CC(C)(O)CCc1cccc2c(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.51
CCNK O75909 3/20 0.51
CCNE1 P24864 3/20 0.51
CDK12 Q9NYV4 3/20 0.51
CDK9 P50750 3/20 0.51
CCNT1 O60563 2/20 0.51
RET P07949 9/20 0.44
MAPK8 P45983 3/20 0.44
MAPK9 P45984 3/20 0.44
MAPK10 P53779 1/20 0.44
GSK3B P49841 6/20 0.42
CDC7 O00311 5/20 0.42
MAP4K4 O95819 5/20 0.42
PIM1 P11309 5/20 0.42
PRKACA P17612 5/20 0.42
HIPK2 Q9H2X6 5/20 0.42
MKNK2 Q9HBH9 5/20 0.42
IRAK4 Q9NWZ3 5/20 0.42
CDK1 P06493 4/20 0.42
CCNB2 O95067 3/20 0.42

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
SCHEMBL3477789 0.88 CDK2 (0.41) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL13638488 0.86 CDK2 (0.51) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL3471834 0.86 MAPK8 (0.38) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL4478873 0.85 RET (0.43) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL27859932 0.85 RET (0.44) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL3472900 0.84 EGFR (0.43) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL4485127 0.84 RET (0.51) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL4490052 0.83 MAPK8 (0.42) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL3477612 0.82 RET (0.50) CDK2CCNKCCNE1CDK12CDK9
SCHEMBL3472017 0.81 CDK7 (0.51) CDK2CCNKCCNE1CDK12CDK9

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-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
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 EP disclosed
WO-2004089913-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE NOVARTIS AG (CH) 2004-10-21 WO 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 CDK2 77/4885CCNK 1085/4885CCNE1 1410/4885

“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.