SCHEMBL2281702

SCHEMBL2281702

CC(C)(C)N(Cc1ccc(Nc2nccc(-c3cnc(N)s3)n2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.46
CDK2 P24941 7/20 0.46
CDK7 P50613 5/20 0.46
CDK9 P50750 5/20 0.46
CDK1 P06493 4/20 0.46
CCNT1 O60563 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNA2 P20248 2/20 0.46
CCNH P51946 2/20 0.46
CCNA1 P78396 2/20 0.46
CDK4 P11802 5/20 0.42
DKK1 O94907 1/20 0.42
GSK3B P49841 1/20 0.42
PLK1 P53350 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
CHUK O15111 4/20 0.42
IKBKG Q9Y6K9 4/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL2288810 0.89 IKBKB (0.47) IKBKBCDK2CDK7CDK9CDK1
SCHEMBL2287314 0.87 IKBKB (0.46) IKBKBCDK2CDK7CDK9CDK1
SCHEMBL2354961 0.86 JAK2 (0.48) IKBKBCDK2CDK7CDK9CDK1
SCHEMBL2289512 0.83 CDK2 (0.46) IKBKBCDK2CDK7CDK9CDK1
SCHEMBL1934601 0.83 SCN9A (0.49) IKBKBMAPK8MAPK10JAK2JAK3
SCHEMBL2283487 0.82 CDK2 (0.44) IKBKBCDK2CDK7CDK9CDK1
SCHEMBL2285611 0.82 CDK2 (0.47) IKBKBCDK2CDK7CDK9CDK1
SCHEMBL2283603 0.81 CDK2 (0.44) IKBKBCDK2CDK7CDK9CDK1
SCHEMBL2285819 0.80 CDK2 (0.50) IKBKBCDK2CDK7CDK9CDK1
SCHEMBL2286095 0.78 CDK2 (0.43) IKBKBCDK2CDK7CDK9CDK1

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 4725/4885CDK2 2065/4885CDK7 1953/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 IKBKB 4728/4885CDK2 2144/4885CDK7 1978/4885

“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.