SCHEMBL3470231

SCHEMBL3470231

COc1ccc2c(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)c[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.57
DYRK1A Q13627 3/20 0.57
FLT3 P36888 3/20 0.53
MKNK2 Q9HBH9 3/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MAPK8 P45983 3/20 0.48
MAPK9 P45984 3/20 0.48
MAPK10 P53779 1/20 0.48
RET P07949 6/20 0.48
MAP3K14 Q99558 1/20 0.47
EIF2AK2 P19525 2/20 0.46
CDK2 P24941 3/20 0.45
CDK7 P50613 2/20 0.45
CCNK O75909 1/20 0.45
CCNE1 P24864 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
IGF1R P08069 1/20 0.43
TTK P33981 1/20 0.43

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
SCHEMBL4559341 0.89 GSK3B (0.47) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL13638487 0.87 GSK3B (0.52) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL3476994 0.86 MAPK8 (0.50) GSK3BDYRK1AFLT3MKNK2MAPK8
SCHEMBL4495552 0.86 MAPK8 (0.53) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL3477878 0.86 GSK3B (0.54) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL4491100 0.84 MAPK8 (0.68) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL3477373 0.84 CCNK (0.51) GSK3BFLT3MKNK2MAPK8MAPK9
SCHEMBL3473302 0.84 DYRK1A (0.56) GSK3BDYRK1AFLT3MKNK2MAPK8
SCHEMBL27636250 0.82 MAPK8 (0.46) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL4503153 0.81 CDK2 (0.47) GSK3BDYRK1AFLT3MKNK2MKNK1

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 GSK3B 906/4885DYRK1A 1869/4885FLT3 671/4885

“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.