SCHEMBL10143889

SCHEMBL10143889

COc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)C2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 11/20 0.58
HDAC4 P56524 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
DGAT2 Q96PD7 2/20 0.49
PARP1 P09874 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ANO1 Q5XXA6 1/20 0.46

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
SCHEMBL13575604 1.00 USP30 (0.58) USP30HDAC4HDAC6DGAT2PARP1
SCHEMBL3546076 0.94 HDAC4 (0.52) USP30HDAC4HDAC6PARP1ALDH1A1
SCHEMBL12427424 0.92 USP30 (0.52) USP30HDAC4HDAC6PDE4APDE4B
SCHEMBL12426326 0.86 USP30 (0.46) USP30PDE4APDE4BPDE4CPDE4D
SCHEMBL12426777 0.86 HTR4 (0.48) USP30ALDH1A1
SCHEMBL12426778 0.86 HTR4 (0.48) USP30ALDH1A1
SCHEMBL13575607 0.83 HTR4 (0.60) USP30PDE4APDE4BPDE4CPDE4D
SCHEMBL12426369 0.83 NPSR1 (0.50) USP30HDAC4ALDH1A1
SCHEMBL13575549 0.82 KMT2A (0.46) ALDH1A1
SCHEMBL13056742 0.82 USP30 (0.66) USP30HDAC4HDAC6PARP1ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP 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
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 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 (1 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 USP30 4195/4885HDAC4 2850/4885HDAC6 3710/4885

“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.