SCHEMBL13638676

SCHEMBL13638676

C=C1CC(Nc2nccc(-c3cc4cccc(OC)c4s3)n2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.36
MKNK2 Q9HBH9 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
IKBKG Q9Y6K9 1/20 0.34
FGFR1 P11362 2/20 0.33
EIF2AK2 P19525 1/20 0.33
CDK2 P24941 7/20 0.33
CDK9 P50750 3/20 0.33
CDK4 P11802 6/20 0.33
GSK3B P49841 1/20 0.33
FGFR4 P22455 1/20 0.32
RET P07949 1/20 0.32
CDK1 P06493 5/20 0.32
CCNA2 P20248 5/20 0.32
CCNB1 P14635 4/20 0.32

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
SCHEMBL3470882 0.87 KCNH2 (0.46) MKNK1MKNK2KCNH2MAPK8MAPK9
SCHEMBL14612805 0.86 APP (0.39) MKNK1MAPK8MAPK9FGFR1CDK2
SCHEMBL13638581 0.84 EIF2AK2 (0.40) MKNK1MKNK2KCNH2IKBKBCHUK
SCHEMBL13638664 0.82 IKBKB (0.33) MKNK1MKNK2IKBKBCHUKIKBKG
SCHEMBL14612878 0.82 MKNK1 (0.44) MKNK1MKNK2EIF2AK2CDK2CCNA2
SCHEMBL14612804 0.82 MKNK1 (0.39) MKNK1MKNK2IKBKBCHUKEIF2AK2
SCHEMBL13638307 0.80 KCNH2 (0.38) KCNH2IKBKBCHUKIKBKGCDK2
SCHEMBL13638309 0.80 KCNH2 (0.38) KCNH2IKBKBCHUKIKBKGEIF2AK2
SCHEMBL13638420 0.79 KDM4E (0.38) MKNK2MAPK8MAPK9MAPK10CDK2
SCHEMBL13638286 0.79 ROCK2 (0.35) MKNK1KCNH2MAPK8MAPK9MAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 291/4885KCNH2 3073/4885

“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.