SCHEMBL25819360

SCHEMBL25819360

O=C(NN1CCC2(CC1)OCCO2)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL29889010 0.81 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2081641 0.80 MEN1 (0.66) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16158130 0.80 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL30981534 0.80 LIPE (0.47) LIPEALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2553604 0.79 HTT (0.53) LIPEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9523669 0.79 LIPE (0.40) LIPEALDH1A1NPC1RAB9AGAA
SCHEMBL3864756 0.79 HTT (0.53) LIPEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14131672 0.79 PRKDC (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9524734 0.79 CHRM2 (0.41) LIPEALDH1A1
SCHEMBL31408148 0.77 LIPE (0.47) LIPEALDH1A1SMN1; SMN2NPC1RAB9A

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 LIPE 3756/4885ALDH1A1 4008/4885MEN1 3403/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 LIPE 4517/4885ALDH1A1 2752/4885MEN1 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.