SCHEMBL4478873

SCHEMBL4478873

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.43
GSK3B P49841 6/20 0.43
CDK1 P06493 6/20 0.43
CCNB2 O95067 5/20 0.43
CCNB1 P14635 5/20 0.43
CCNB3 Q8WWL7 5/20 0.43
CDC7 O00311 4/20 0.43
MAP4K4 O95819 4/20 0.43
PRKACA P17612 4/20 0.43
HIPK2 Q9H2X6 4/20 0.43
MKNK2 Q9HBH9 4/20 0.43
IRAK4 Q9NWZ3 4/20 0.43
JAK2 O60674 3/20 0.43
PIM1 P11309 3/20 0.43
FLT3 P36888 3/20 0.43
JAK3 P52333 3/20 0.43
PIM3 Q86V86 3/20 0.43
AKT3 Q9Y243 3/20 0.43
INSR P06213 2/20 0.43
CSF1R P07333 2/20 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
SCHEMBL13638552 0.89 RET (0.40) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL4501971 0.88 CDK7 (0.39) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL4481423 0.86 RET (0.42) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL3477635 0.85 CDK2 (0.51) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL4498249 0.85 GSK3B (0.56) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL3472900 0.83 EGFR (0.43) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL4485127 0.82 RET (0.51) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL3477612 0.82 RET (0.50) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL4490390 0.82 MAPK8 (0.41) RETGSK3BCDK1CCNB2CCNB1
SCHEMBL4493639 0.82 RET (0.49) RETGSK3BCDK1CCNB2CCNB1

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
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 EP disclosed
CN-102267988-A 2-aminopyrimidine derivatives and their medical use NOVARTIS LTD 2011-12-07 CN 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
CN-1802357-A 2-aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2006-07-12 CN 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 906/4885CDK1 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.