SCHEMBL4478889

SCHEMBL4478889

CC1(C)CC(Nc2nccc(-c3c[nH]c4c(N)cccc34)n2)CC(C)(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.49
GSK3B P49841 7/20 0.49
DYRK1A Q13627 6/20 0.49
CDK1 P06493 4/20 0.49
CDC7 O00311 3/20 0.49
JAK2 O60674 3/20 0.49
MAP4K4 O95819 3/20 0.49
PIM1 P11309 3/20 0.49
PRKACA P17612 3/20 0.49
FLT3 P36888 3/20 0.49
JAK3 P52333 3/20 0.49
PIM3 Q86V86 3/20 0.49
HIPK2 Q9H2X6 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
IRAK4 Q9NWZ3 3/20 0.49
AKT3 Q9Y243 3/20 0.49
MAPK8 P45983 3/20 0.49
MAPK9 P45984 3/20 0.49
CDK7 P50613 3/20 0.49
CCNB2 O95067 3/20 0.49

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
SCHEMBL3477612 0.89 RET (0.50) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL4485127 0.89 RET (0.51) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL4493639 0.88 RET (0.49) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL3472286 0.88 GSK3B (0.54) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL3478219 0.88 DYRK1A (0.54) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL3475776 0.87 GSK3B (0.58) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL13638597 0.87 RET (0.45) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL4498249 0.85 GSK3B (0.56) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL3471039 0.84 GSK3B (0.57) RETGSK3BDYRK1ACDK1CDC7
SCHEMBL4491100 0.83 MAPK8 (0.68) RETGSK3BDYRK1ACDK1CDC7

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 10 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
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 RET 3044/4885GSK3B 906/4885DYRK1A 1869/4885

“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.