SCHEMBL3473302

SCHEMBL3473302

CC1(C)CC(Nc2nccc(-c3c[nH]c4cc(C(F)(F)F)ccc34)n2)CC(C)(C)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.56
GSK3B P49841 3/20 0.56
MAPK8 P45983 3/20 0.48
MAPK9 P45984 3/20 0.48
MAPK10 P53779 1/20 0.48
CDK7 P50613 7/20 0.44
CDK2 P24941 6/20 0.44
CCNH P51946 6/20 0.44
CCNK O75909 5/20 0.44
CDK12 Q9NYV4 5/20 0.44
MNAT1 P51948 4/20 0.44
CCNE1 P24864 4/20 0.44
RET P07949 6/20 0.43
CCNT1 O60563 4/20 0.43
CDK9 P50750 4/20 0.43
JUN P05412 1/20 0.42
CDC7 O00311 2/20 0.42
JAK2 O60674 2/20 0.42
CCNB2 O95067 2/20 0.42
MAP4K4 O95819 2/20 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
SCHEMBL3476994 0.87 MAPK8 (0.50) DYRK1AGSK3BMAPK8MAPK9MAPK10
SCHEMBL4495552 0.85 MAPK8 (0.53) DYRK1AGSK3BMAPK8MAPK9MAPK10
SCHEMBL3477878 0.85 GSK3B (0.54) DYRK1AGSK3BMAPK8MAPK9MAPK10
SCHEMBL3470231 0.84 GSK3B (0.57) DYRK1AGSK3BMAPK8MAPK9MAPK10
SCHEMBL4491100 0.83 MAPK8 (0.68) DYRK1AGSK3BMAPK8MAPK9MAPK10
SCHEMBL3477373 0.83 CCNK (0.51) GSK3BMAPK8MAPK9MAPK10CDK7
SCHEMBL3476506 0.82 MAP3K14 (0.54) DYRK1AGSK3BMAPK8MAPK9MAPK10
SCHEMBL27636250 0.81 MAPK8 (0.46) DYRK1AGSK3BMAPK8MAPK9MAPK10
SCHEMBL3475736 0.81 MAPK8 (0.46) DYRK1AGSK3BMAPK8MAPK9MAPK10
SCHEMBL4503153 0.81 CDK2 (0.47) DYRK1AGSK3BMAPK8MAPK9MAPK10

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 DYRK1A 1869/4885GSK3B 906/4885MAPK8 197/4885

“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.