SCHEMBL3477263

SCHEMBL3477263

COc1cccc(-c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.45
MKNK2 Q9HBH9 1/20 0.44
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1B Q9Y463 1/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CG P48736 4/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
CLK1 P49759 1/20 0.41
EIF2AK2 P19525 1/20 0.40
KCNH2 Q12809 2/20 0.39
SYK P43405 1/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
CCNA1 P78396 1/20 0.38
RAF1 P04049 1/20 0.38

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
SCHEMBL3477550 0.90 APP (0.42) MKNK1MKNK2DYRK1ACLK4DYRK1B
SCHEMBL14612878 0.87 MKNK1 (0.44) MKNK1MKNK2DYRK1ACLK4DYRK1B
SCHEMBL3478254 0.86 CDK5 (0.40) KCNH2SYKCDK2BRD4CDK9
SCHEMBL4482067 0.84 ROCK2 (0.47) KCNH2SYKCCNA2CDK2MAPK3
SCHEMBL3474930 0.84 KCNH2 (0.38) KCNH2BRAF
SCHEMBL3478518 0.84 KCNH2 (0.38) KCNH2SYKCCNA2CDK2MAPK3
SCHEMBL3478098 0.84 LMNA (0.41) KCNH2CCNA2CDK2CCNA1
SCHEMBL4492222 0.83 ROCK2 (0.42) MKNK2CLK4DYRK1BKCNH2SYK
SCHEMBL3477790 0.83 ROCK2 (0.45) MKNK2KCNH2JAK2
SCHEMBL3477093 0.82 KCNH2 (0.48) MKNK1MKNK2PIK3CGPIK3CAPIK3CB

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
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

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 MKNK1 394/4885MKNK2 291/4885DYRK1A 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.