SCHEMBL3782792

SCHEMBL3782792

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(=O)OC2CCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.50
PARP1 P09874 1/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
PREP P48147 3/20 0.47
KLK5 Q9Y337 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
PDE4B Q07343 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
FKBP1A P62942 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL28003378 0.96 PARP1 (0.53) KLK7PARP1PDK1PDK2PDK3
SCHEMBL9965340 0.96 PARP1 (0.53) KLK7PARP1PDK1PDK2PDK3
SCHEMBL4676650 0.89 PDK1 (0.54) KLK7PARP1PDK1PDK2PDK3
SCHEMBL3779343 0.89 PDK1 (0.54) KLK7PARP1PDK1PDK2PDK3
SCHEMBL30289331 0.89 PDK1 (0.54) KLK7PARP1PDK1PDK2PDK3
SCHEMBL1288345 0.87 PDK1 (0.53) KLK7PARP1PDK1PDK2PDK3
SCHEMBL15298945 0.87 PDK1 (0.53) KLK7PARP1PDK1PDK2PDK3
SCHEMBL6487540 0.87 PDK1 (0.53) KLK7PARP1PDK1PDK2PDK3
SCHEMBL4841744 0.86 PDK1 (0.52) KLK7PARP1PDK1PDK2PDK3
SCHEMBL2442588 0.85 PDK1 (0.55) PARP1PDK1PDK2PDK3PDK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 US disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 US disclosed
US-20090203711-A1 Inhibitors of P38 Map Kinase CHROMA THERAPEUTICS LTD. (GB) 2009-08-13 US disclosed
US-20090203711-A1 Inhibitors of P38 Map Kinase CHROMA THERAPEUTICS LTD. (GB) 2009-08-13 US disclosed
US-20090203711-A1 Inhibitors of P38 Map Kinase CHROMA THERAPEUTICS LTD. (GB) 2009-08-13 US disclosed
WO-2007129036-A1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO 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-20090203711-A1 Inhibitors of P38 Map Kinase MAPK1, MAPK3, CNKSR1 KLK7 4628/4885PARP1 2314/4885PDK1 299/4885
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 KLK7 2507/4885PARP1 199/4885PDK1 261/4885

“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.