SCHEMBL2279455

SCHEMBL2279455

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.67
CDK4 P11802 12/20 0.67
PLK1 P53350 1/20 0.67
AURKA O14965 7/20 0.65
CDK9 P50750 6/20 0.65
AURKB Q96GD4 6/20 0.65
CDK1 P06493 5/20 0.65
CDK7 P50613 5/20 0.65
CCNE1 P24864 2/20 0.61
TRPV4 Q9HBA0 1/20 0.54
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL6157855 0.90 CDK2 (0.71) CDK2CDK4PLK1AURKACDK9
SCHEMBL2286005 0.90 CDK2 (0.53) CDK2CDK4PLK1AURKACDK9
SCHEMBL2357348 0.89 CDK2 (0.69) CDK2CDK4PLK1AURKACDK9
SCHEMBL2290357 0.87 CDK2 (0.53) CDK2CDK4PLK1AURKACDK9
SCHEMBL6157713 0.85 CDK2 (0.74) CDK2CDK4PLK1AURKACDK9
SCHEMBL6363608 0.84 CDK2 (0.60) CDK2CDK4PLK1AURKACDK9
SCHEMBL3947916 0.81 RAB9A (0.56) CDK2AURKAMAPTRXFP1
SCHEMBL2076580 0.81 CDK2 (0.74) CDK2CDK4PLK1AURKACDK9
SCHEMBL4166851 0.81 CDK2 (0.80) CDK2CDK4PLK1AURKACDK9
SCHEMBL2074206 0.81 CDK2 (0.69) CDK2CDK4PLK1AURKACDK9

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.