SCHEMBL25819522

SCHEMBL25819522

O=C(NC1CC2(CCN(CC3CCN(c4cccc([N+](=O)[O-])c4)CC3)CC2)C1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40
VCP P55072 1/20 0.40
MAPT P10636 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KCNH2 Q12809 3/20 0.39
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
PDE1C Q14123 1/20 0.39
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL25819513 0.91 CHRM4 (0.44) CHRM4SIGMAR1MEN1KMT2AMAPT
SCHEMBL25819521 0.88 CHRM4 (0.45) CHRM4SIGMAR1ENPP2ATXN2VCP
SCHEMBL30135724 0.87 ENPP2 (0.40) CHRM4SIGMAR1MEN1KMT2AENPP2
SCHEMBL30135712 0.87 MAPT (0.45) CHRM4SIGMAR1KMT2AENPP2ATXN2
SCHEMBL30965642 0.84 CHRM4 (0.44) CHRM4MEN1KMT2AENPP2ATXN2
SCHEMBL25819512 0.83 CHRM4 (0.48) CHRM4ENPP2ATXN2CTSLCTSB
SCHEMBL30965812 0.83 CHRM4 (0.39) CHRM4SIGMAR1ENPP2ATXN2MAPT
SCHEMBL30135969 0.83 CHRM4 (0.42) CHRM4MEN1KMT2AENPP2ATXN2
SCHEMBL30965750 0.81 POLB (0.42) CHRM4ENPP2ATXN2MAPTALDH1A1
SCHEMBL30965765 0.80 MAPT (0.44) CHRM4ENPP2ATXN2MAPTALDH1A1

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 4481/4885SIGMAR1 4265/4885MEN1 3403/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 CHRM4 4192/4885SIGMAR1 4453/4885MEN1 2443/4885

“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.