SCHEMBL3471382

SCHEMBL3471382

COc1ccc2c(ccn2-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.54
MAPK10 P53779 4/20 0.45
MAPK8 P45983 3/20 0.45
MAPK9 P45984 3/20 0.45
JUN P05412 1/20 0.42
CDK2 P24941 1/20 0.42
MAPT P10636 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 1/20 0.39
EGFR P00533 1/20 0.38
EIF2AK2 P19525 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
IDH1 O75874 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 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
SCHEMBL13638593 0.87 ROCK1 (0.49) ROCK1MAPK10MAPK8MAPK9JUN
SCHEMBL4478806 0.83 CDC7 (0.53) ROCK1MAPK10MAPK8MAPK9JUN
SCHEMBL3470784 0.83 MAPK8 (0.64) ROCK1MAPK10MAPK8MAPK9JUN
SCHEMBL5102632 0.82 MAPK8 (0.69) ROCK1MAPK10MAPK8MAPK9JUN
SCHEMBL5090506 0.82 MAPK8 (0.69) ROCK1MAPK10MAPK8MAPK9JUN
SCHEMBL3471459 0.80 MAPK8 (0.49) MAPK10MAPK8MAPK9MKNK1EIF2AK2
SCHEMBL142677 0.74 ROCK1 (0.62) ROCK1MAPTEGFRFLT1FLT4
SCHEMBL4484309 0.73 MAPK8 (0.47) MAPK10MAPK8MAPK9
SCHEMBL3471867 0.72 MAPK8 (0.50) MAPK10MAPK8MAPK9JUNCDK2
SCHEMBL12821389 0.71 ROCK1 (1.00) ROCK1CDK2

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
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-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 ROCK1 3480/4885MAPK10 433/4885MAPK8 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.