SCHEMBL30135967

SCHEMBL30135967

O=C(NC1CCN(CC2CN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3F)C2)CC1)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
EPHX1 P07099 1/20 0.38
IDH1 O75874 3/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CHRM4 P08173 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
DPP4 P27487 6/20 0.37
DPP7 Q9UHL4 6/20 0.37
KCNH2 Q12809 4/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL25335312 0.93 IDH1 (0.39) IDH1FFAR4ALDH1A1CNR1CNR2
SCHEMBL25935098 0.92 SMPD3 (0.44) CTSLCTSBCTSKSMPD3EPHX1
SCHEMBL30981348 0.88 CTSL (0.42) CTSLCTSBCTSKSMPD3EPHX1
SCHEMBL29013167 0.85 FFAR4 (0.40) IDH1FFAR4CHRM4CNR1
SCHEMBL30981116 0.85 CHRM4 (0.44) CTSLCTSBCTSKSMPD3EPHX1
SCHEMBL30136109 0.83 DPP4 (0.37) CTSLCTSBCTSKSMPD3EPHX1
SCHEMBL31653790 0.83 CKS1B (0.47) FFAR4CNR1CNR2
SCHEMBL30965571 0.81 CKS1B (0.42) FFAR4CNR1
SCHEMBL25825537 0.81 CKS1B (0.42) FFAR4CNR1
SCHEMBL30135849 0.81 CTSL (0.48) CTSLCTSBCTSKEPHX1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers UPPTHERA, INC. (KR) 2024-03-26 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
EP-4157850-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2023-04-05 EP disclosed
WO-2023018236-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-11939334-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 CTSL 3314/4885CTSB 2872/4885CTSK 2313/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 CTSL 2369/4885CTSB 2194/4885CTSK 1471/4885

“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.