SCHEMBL13638449

SCHEMBL13638449

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.39
CDK7 P50613 5/20 0.39
CCNH P51946 3/20 0.39
MNAT1 P51948 3/20 0.39
CCNE1 P24864 3/20 0.39
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
RET P07949 8/20 0.39
CDK1 P06493 7/20 0.39
CCNB1 P14635 6/20 0.39
GSK3B P49841 4/20 0.39
CCNB2 O95067 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39
CDC7 O00311 3/20 0.39
JAK2 O60674 3/20 0.39
MAP4K4 O95819 3/20 0.39
PIM1 P11309 3/20 0.39
PRKACA P17612 3/20 0.39
FLT3 P36888 3/20 0.39
JAK3 P52333 3/20 0.39

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
SCHEMBL4481423 0.89 RET (0.42) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638552 0.88 RET (0.40) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638596 0.85 GSK3B (0.51) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638597 0.84 RET (0.45) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638546 0.83 RET (0.46) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638549 0.83 RET (0.46) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638548 0.82 GSK3B (0.48) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638328 0.82 RET (0.45) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638444 0.82 DYRK1A (0.48) CDK2CDK7CCNHMNAT1CCNE1
SCHEMBL13638450 0.82 RET (0.40) CDK2CDK7CCNHMNAT1CCNE1

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 CDK2 77/4885CDK7 207/4885CCNH 2043/4885

“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.