SCHEMBL13638443

SCHEMBL13638443

C=C1CC(Nc2nccc(-c3c[nH]c4c(OC)cccc34)n2)CC(C)(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.52
DYRK1A Q13627 4/20 0.52
NFATC1 O95644 1/20 0.52
RET P07949 8/20 0.46
CDK1 P06493 4/20 0.43
CCNB2 O95067 3/20 0.43
CCNB1 P14635 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
FLT3 P36888 4/20 0.43
MKNK2 Q9HBH9 4/20 0.43
CDC7 O00311 3/20 0.43
JAK2 O60674 3/20 0.43
MAP4K4 O95819 3/20 0.43
PIM1 P11309 3/20 0.43
PRKACA P17612 3/20 0.43
JAK3 P52333 3/20 0.43
PIM3 Q86V86 3/20 0.43
HIPK2 Q9H2X6 3/20 0.43
IRAK4 Q9NWZ3 3/20 0.43
AKT3 Q9Y243 3/20 0.43

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
SCHEMBL13638546 0.89 RET (0.46) GSK3BDYRK1ANFATC1RETCDK1
SCHEMBL13638549 0.89 RET (0.46) GSK3BDYRK1ARETCDK1CCNB2
SCHEMBL3475776 0.88 GSK3B (0.58) GSK3BDYRK1ANFATC1RETCDK1
SCHEMBL13638444 0.88 DYRK1A (0.48) GSK3BDYRK1ARETCDK1CCNB2
SCHEMBL13638548 0.88 GSK3B (0.48) GSK3BDYRK1ANFATC1RETCDK1
SCHEMBL13638328 0.88 RET (0.45) GSK3BDYRK1ARETCDK1CCNB2
SCHEMBL13638597 0.88 RET (0.45) GSK3BDYRK1ANFATC1RETCDK1
SCHEMBL13638596 0.85 GSK3B (0.51) GSK3BDYRK1ANFATC1RETCDK1
SCHEMBL13638446 0.84 GSK3B (0.52) GSK3BDYRK1ARETCDK1CCNB2
SCHEMBL13638594 0.84 MAPK8 (0.61) GSK3BDYRK1ARETCDK1CCNB2

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 1869/4885NFATC1 115/4885

“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.