SCHEMBL2286136

SCHEMBL2286136

CCc1ncc(-c2ccnc(Nc3ccc(N(CCOC)C(=O)O)cc3)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.42
CHUK O15111 3/20 0.42
IKBKG Q9Y6K9 3/20 0.42
CDK2 P24941 6/20 0.41
CDK1 P06493 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
JAK3 P52333 5/20 0.40
JAK2 O60674 5/20 0.40
SYK P43405 2/20 0.40
JAK1 P23458 3/20 0.39
CDK4 P11802 2/20 0.38
TYK2 P29597 1/20 0.38
DKK1 O94907 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL2286487 0.89 CDK2 (0.44) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL2286095 0.88 CDK2 (0.43) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL2286339 0.86 CDK2 (0.46) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL2353118 0.86 JAK2 (0.46) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL2283255 0.84 CDK2 (0.44) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL2278999 0.83 CDK2 (0.43) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL2286079 0.83 CDK2 (0.38) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL2282796 0.83 CDK2 (0.46) IKBKBCHUKIKBKGCDK2CDK1
SCHEMBL2285673 0.80 CDK2 (0.63) CDK2CDK1CDK7CDK9CDK4
SCHEMBL2283774 0.80 IKBKB (0.41) IKBKBCHUKIKBKGCDK2CDK1

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-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 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 (2 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX IKBKB 4725/4885CHUK 4717/4885IKBKG 4638/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 IKBKB 4728/4885CHUK 4722/4885IKBKG 4672/4885

“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.