SCHEMBL13638522

SCHEMBL13638522

C=C1CC(Nc2nccc(-c3ccc(CCC(=O)CC)s3)n2)CC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.36
CHUK O15111 6/20 0.36
IKBKG Q9Y6K9 6/20 0.36
MAPK8 P45983 4/20 0.32
MAPK9 P45984 3/20 0.32
CDK2 P24941 3/20 0.32
MAPK10 P53779 2/20 0.32
JUN P05412 2/20 0.32
AKT3 Q9Y243 7/20 0.32
CCNK O75909 2/20 0.32
CDK12 Q9NYV4 2/20 0.32
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CCNA1 P78396 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL13638578 0.89 IKBKB (0.37) IKBKBCHUKIKBKGMAPK8MAPK9
SCHEMBL13638580 0.88 IKBKB (0.35) IKBKBCHUKIKBKGMAPK8MAPK9
SCHEMBL13638292 0.88 KDR (0.37) IKBKBCHUKIKBKGCDK2AKT3
SCHEMBL3476455 0.88 IKBKB (0.37) IKBKBCHUKIKBKGMAPK8MAPK9
SCHEMBL13638432 0.87 IKBKB (0.39) IKBKBCHUKIKBKGMAPK8MAPK9
SCHEMBL13638429 0.87 IKBKB (0.34) IKBKBCHUKIKBKGMAPK8MAPK9
SCHEMBL13638430 0.86 AKT3 (0.36) IKBKBCHUKIKBKGMAPK8MAPK9
SCHEMBL13638303 0.86 IKBKB (0.43) IKBKBCHUKIKBKGCDK2AKT3
SCHEMBL13638579 0.86 SRC (0.35) IKBKBCHUKIKBKGMAPK8MAPK9
SCHEMBL13638557 0.84 IKBKB (0.45) IKBKBCHUKIKBKGMAPK9CDK2

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 IKBKB 2/4885CHUK 3/4885IKBKG 7/4885

“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.