SCHEMBL25819521

SCHEMBL25819521

Nc1cccc(N2CCC(CN3CCC4(CC3)CC(NC(=O)OCc3ccccc3)C4)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.45
TSHR P16473 1/20 0.42
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42
VCP P55072 1/20 0.42
KCNH2 Q12809 7/20 0.42
HRH1 P35367 3/20 0.42
CCR3 P51677 3/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
DPP4 P27487 4/20 0.41
DPP7 Q9UHL4 4/20 0.41
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL25819512 0.91 CHRM4 (0.48) CHRM4TSHRENPP2ATXN2KCNH2
SCHEMBL30965642 0.88 CHRM4 (0.44) CHRM4TSHRENPP2ATXN2KCNH2
SCHEMBL25819522 0.88 CHRM4 (0.43) CHRM4ENPP2ATXN2VCPKCNH2
SCHEMBL30135969 0.87 CHRM4 (0.42) CHRM4TSHRENPP2ATXN2VCP
SCHEMBL30135811 0.87 DPP4 (0.42) CHRM4TSHRENPP2ATXN2KCNH2
SCHEMBL30135895 0.87 CTSL (0.41) CHRM4TSHRENPP2ATXN2KCNH2
SCHEMBL25259650 0.86 KCNH2 (0.44) CHRM4KCNH2HRH1CCR3
SCHEMBL25819513 0.84 CHRM4 (0.44) CHRM4ALDH1A1GAACTSLCTSB
SCHEMBL25819515 0.84 ALDH1A1 (0.47) TSHRENPP2ATXN2KCNH2ALDH1A1
SCHEMBL30965545 0.83 DPP4 (0.40) CHRM4TSHRENPP2ATXN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4157849-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP 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

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 CHRM4 4481/4885TSHR 3971/4885ENPP2 1565/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 CHRM4 4192/4885TSHR 3869/4885ENPP2 2034/4885

“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.