SCHEMBL20547701

SCHEMBL20547701

N#Cc1ccc(C(=O)CCC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.65
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL241664 0.84 GSK3B (0.70) GSK3BCA1CA2HDAC1HDAC8
SCHEMBL5737219 0.83 MMP2 (0.62) GSK3BCA1CA2KMT2ARAB9A
SCHEMBL4811505 0.82 CA1 (0.55) GSK3BCA1CA2MAOBMAOA
SCHEMBL20547722 0.81 GSK3B (0.59) GSK3BCA1CA2MAOBMAOA
SCHEMBL21774365 0.81 GSK3B (0.59) GSK3BCA1CA2MEN1KMT2A
SCHEMBL10664256 0.80 GSK3B (0.54) GSK3BCA1CA2MAOBMAOA
SCHEMBL30239775 0.80 GSK3B (0.43) GSK3BCA1CA2HDAC1HDAC8
SCHEMBL14656590 0.79 MAOB (0.70) GSK3BCA1CA2MAOBMAOA
SCHEMBL8533727 0.79 GSK3B (0.53) GSK3BCA1CA2HDAC1HDAC8
SCHEMBL14275200 0.79 GSK3B (0.61) GSK3BCA1CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585605-B Pharmaceutical compounds 圣提内尔肿瘤学有限公司 2025-02-25 CN disclosed
EP-3615525-B1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2024-12-25 EP disclosed
US-11884656-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2024-01-30 US disclosed
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2021-12-28 US disclosed
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2020-08-06 US disclosed
EP-3615525-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS Sentinel Oncology Limited (GB) 2020-03-04 EP disclosed
WO-2018197714-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2018-11-01 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 (4 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-11884656-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC GSK3B 274/4885CA1 2065/4885CA2 1493/4885
US-20200247796-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC GSK3B 278/4885CA1 2098/4885CA2 1567/4885
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC GSK3B 274/4885CA1 2065/4885CA2 1493/4885
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC GSK3B 278/4885CA1 2098/4885CA2 1567/4885

“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.