SCHEMBL4492222

SCHEMBL4492222

CC(=O)c1cccc(-c2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.42
SYK P43405 3/20 0.40
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
INCENP Q9NQS7 1/20 0.40
MAPKAPK2 P49137 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 3/20 0.38
KCNH2 Q12809 2/20 0.38
FYN P06241 1/20 0.37
CNR1 P21554 1/20 0.37
PLK1 P53350 1/20 0.37
MAPK8 P45983 2/20 0.36
PLK4 O00444 1/20 0.36
DCLK1 O15075 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL4486964 0.91 GSK3B (0.39) ROCK2SYKHDAC8HDAC6KCNH2
SCHEMBL4477041 0.89 NQO2 (0.50) SYKMEN1KMT2AL3MBTL1PLK1
SCHEMBL14612877 0.88 ROCK2 (0.38) ROCK2SYKAURKBAURKATTK
SCHEMBL27842563 0.85 KCNH2 (0.38) ROCK2AURKBAURKATTKINCENP
SCHEMBL3478254 0.85 CDK5 (0.40) ROCK2SYKAURKBAURKATTK
SCHEMBL16192806 0.85 RARA (0.47) ROCK2AURKBAURKATTKINCENP
SCHEMBL3474930 0.84 KCNH2 (0.38) ROCK2AURKBAURKATTKINCENP
SCHEMBL16192810 0.84 ROCK2 (0.40) ROCK2SYKAURKBAURKATTK
SCHEMBL3477810 0.83 ROCK2 (0.39) ROCK2SYKMEN1KMT2AHDAC8
SCHEMBL3477263 0.83 MKNK1 (0.45) SYKKCNH2CDK2CLK4MKNK2

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 9 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-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 ROCK2 2680/4885SYK 95/4885AURKB 606/4885

“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.