SCHEMBL13638292

SCHEMBL13638292

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.37
IKBKB O14920 8/20 0.34
CHUK O15111 7/20 0.34
IKBKG Q9Y6K9 6/20 0.34
CDK4 P11802 6/20 0.33
CDK1 P06493 5/20 0.33
CCNB1 P14635 5/20 0.33
CCNA2 P20248 5/20 0.33
CCND1 P24385 5/20 0.33
CDK2 P24941 5/20 0.33
CCNA1 P78396 5/20 0.33
AKT3 Q9Y243 1/20 0.33
CCNE1 P24864 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
PIK3C3 Q8NEB9 2/20 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
SCHEMBL13638429 0.91 IKBKB (0.34) IKBKBCHUKIKBKGCDK4CDK1
SCHEMBL13638303 0.91 IKBKB (0.43) IKBKBCHUKIKBKGCDK4CDK1
SCHEMBL13638306 0.90 IKBKB (0.34) IKBKBCHUKIKBKGCDK4CDK1
SCHEMBL13638456 0.89 IKBKB (0.42) KDRIKBKBCHUKIKBKGCDK4
SCHEMBL13638577 0.89 AKT3 (0.36) KDRIKBKBCHUKIKBKGCDK4
SCHEMBL13638579 0.89 SRC (0.35) KDRIKBKBCHUKIKBKGCDK4
SCHEMBL13638578 0.88 IKBKB (0.37) IKBKBCHUKIKBKGCDK4CDK1
SCHEMBL13638522 0.88 IKBKB (0.36) IKBKBCHUKIKBKGCDK4CDK1
SCHEMBL13638519 0.88 IKBKB (0.33) IKBKBCHUKIKBKGCDK4CDK1
SCHEMBL13638557 0.87 IKBKB (0.45) IKBKBCHUKIKBKGCDK4CDK1

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 KDR 1267/4885IKBKB 2/4885CHUK 3/4885

“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.