SCHEMBL25035461

SCHEMBL25035461

O=NN1CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 3/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25035462 0.92 KDM4E (0.38) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL24962628 0.76
SCHEMBL19249449 0.72 POLB (0.37) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL1374885 0.67 POLB (0.41) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL254096 0.67 KMT2A (0.40) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL11206485 0.67 POLB (0.37) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL973934 0.67
SCHEMBL18650250 0.67
SCHEMBL24962631 0.67 CYP11B1 (0.30)
SCHEMBL13246807 0.67 POLB (0.38) POLBKDM4EKMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 CN disclosed
WO-2024117789-A1 PLK1 DEGRADATION INDUCING COMPOUNDS WITH INCREASED RIGIDITY UPPTHERA, INC. (KR) 2024-06-06 WO disclosed
CN-117940437-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2024-04-26 CN disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-02-27 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
US-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US disclosed
EP-4157849-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023036156-A1 DNA-PK SELECTIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 首药控股(北京)股份有限公司 2023-03-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
CN-111235593-B Synthesis method of nitrogen nitrosation product of secondary amine 南京理工大学 2020-10-16 CN disclosed
CN-111235593-A Synthesis method of nitrogen nitrosation product of secondary amine 南京理工大学 2020-06-05 CN 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 POLB 874/4885KDM4E 1918/4885KMT2A 1840/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 POLB 176/4885KDM4E 1387/4885KMT2A 1115/4885

“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.