SCHEMBL13638415

SCHEMBL13638415

C=C1CC(Nc2ncc(OC)c(-c3ccc(CCC(C)(C)O)s3)n2)CC(C)(C)N1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 2/20 0.34
CCNH P51946 2/20 0.34
MNAT1 P51948 2/20 0.34
MAPK8 P45983 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
IKBKG Q9Y6K9 1/20 0.32
CCNT1 O60563 2/20 0.31
CCNK O75909 2/20 0.31
CDK9 P50750 2/20 0.31
CDK12 Q9NYV4 2/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
SCHEMBL4495726 0.89 CDK7 (0.36) CDK7CCNHMNAT1MAPK8IKBKB
SCHEMBL13638557 0.84 IKBKB (0.45) IKBKBCHUKIKBKGCDK2
SCHEMBL13638664 0.78 IKBKB (0.33) IKBKBCHUKIKBKG
SCHEMBL13638665 0.78 IKBKB (0.39) IKBKBCHUKIKBKGCDK2
SCHEMBL13638661 0.77 RPS6KB2 (0.38) MAPK8
SCHEMBL13638417 0.77 IKBKB (0.31) IKBKBCHUKIKBKG
SCHEMBL13638458 0.75 IKBKB (0.36) IKBKBCHUKIKBKGCCNE1CDK2
SCHEMBL13638500 0.72 IKBKB (0.33) IKBKBCHUKIKBKGCDK2
SCHEMBL13638456 0.72 IKBKB (0.42) IKBKBCHUKIKBKGCCNE1CDK2
SCHEMBL13638429 0.72 IKBKB (0.34) MAPK8IKBKBCHUKIKBKGCCNE1

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 CDK7 207/4885CCNH 2043/4885MNAT1 299/4885

“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.