SCHEMBL2286005

SCHEMBL2286005

CCOC(=O)c1ccc(Nc2nccc(-c3sc(CC)nc3C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.53
CDK4 P11802 11/20 0.53
PLK1 P53350 3/20 0.53
AURKA O14965 7/20 0.51
CDK7 P50613 7/20 0.51
CDK9 P50750 7/20 0.51
AURKB Q96GD4 6/20 0.51
CDK1 P06493 5/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 1/20 0.51
CCNA2 P20248 1/20 0.50
CCNE1 P24864 2/20 0.48
PDPK1 O15530 1/20 0.47
CHEK1 O14757 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL2290357 0.91 CDK2 (0.53) CDK2CDK4PLK1AURKACDK7
SCHEMBL2279455 0.90 CDK2 (0.67) CDK2CDK4PLK1AURKACDK7
SCHEMBL2357348 0.87 CDK2 (0.69) CDK2CDK4PLK1AURKACDK7
SCHEMBL2283233 0.84 CDK2 (0.74) CDK2CDK4PLK1AURKACDK7
SCHEMBL2283254 0.81 CDK2 (0.73) CDK2CDK4PLK1AURKACDK7
SCHEMBL2283630 0.81 CDK2 (0.58) CDK2CDK4PLK1AURKACDK7
SCHEMBL3947916 0.80 RAB9A (0.56) CDK2AURKARAB9AMEN1THRB
SCHEMBL6157855 0.80 CDK2 (0.71) CDK2CDK4PLK1AURKACDK7
SCHEMBL2286346 0.79 CDK2 (0.76) CDK2CDK4PLK1AURKACDK7
SCHEMBL2287386 0.79 CDK2 (0.58) CDK2CDK4PLK1AURKACDK7

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 CDK2 2065/4885CDK4 776/4885PLK1 4801/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CDK2 2144/4885CDK4 818/4885PLK1 4819/4885

“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.