SCHEMBL13638487

SCHEMBL13638487

C=C1CC(Nc2nccc(-c3c[nH]c4cc(OC)ccc34)n2)CC(C)(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.52
DYRK1A Q13627 2/20 0.52
FLT3 P36888 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MAPK8 P45983 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 1/20 0.44
RET P07949 4/20 0.44
EIF2AK2 P19525 2/20 0.43
MAP3K14 Q99558 1/20 0.43
IGF1R P08069 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
TTK P33981 1/20 0.42
CDK2 P24941 5/20 0.42
CCNK O75909 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 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
SCHEMBL13638684 0.88 GSK3B (0.48) GSK3BDYRK1AFLT3MKNK2MAPK8
SCHEMBL13638683 0.88 MAPK8 (0.48) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL13638484 0.88 MAPK8 (0.46) GSK3BDYRK1AFLT3MKNK2MAPK8
SCHEMBL3470231 0.87 GSK3B (0.57) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL13638594 0.86 MAPK8 (0.61) GSK3BDYRK1AFLT3MKNK2MKNK1
SCHEMBL13638595 0.85 CCNK (0.49) MAPK8MAPK9MAPK10RETMAP3K14
SCHEMBL13638445 0.83 CDK2 (0.48) GSK3BFLT3MKNK2MAPK8MAPK9
SCHEMBL13638483 0.83 CDK2 (0.43) GSK3BDYRK1AFLT3MKNK2MAPK8
SCHEMBL13638687 0.82 MAPK8 (0.41) GSK3BDYRK1AFLT3MKNK2MAPK8
SCHEMBL13638448 0.82 MAPK8 (0.41) GSK3BDYRK1AFLT3MKNK2MKNK1

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 GSK3B 906/4885DYRK1A 1869/4885FLT3 671/4885

“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.