SCHEMBL25035121

SCHEMBL25035121

O=C1CCC(n2cc(N3CCNCC3)cn2)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.48
DDB1 Q16531 15/20 0.48
IKZF3 Q9UKT9 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.39
OPRM1 P35372 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL20437002 0.86 CRBN (0.51) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL20231966 0.80 CRBN (0.51) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25819562 0.77 DDB1 (0.58) CRBNDDB1ALDH1A1
SCHEMBL20443364 0.76 MPO (0.51) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30769479 0.76 CRBN (0.50) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL20437003 0.75 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL20436927 0.75 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30831013 0.75 DDB1 (0.54) CRBNDDB1
SCHEMBL26600386 0.74 ADRB2 (0.42) CRBNDDB1CHRM2CYP1A2
SCHEMBL31612900 0.74 CRBN (0.62) CRBNDDB1IKZF3ALDH1A1CHRM2

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 12 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
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 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-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 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
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN 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 (3 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 CRBN 2136/4885DDB1 132/4885IKZF3 1904/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 CRBN 2136/4885DDB1 132/4885IKZF3 1904/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 CRBN 2496/4885DDB1 77/4885IKZF3 1337/4885

“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.