SCHEMBL25819574

SCHEMBL25819574

Cc1ccc(-c2cccc(N3CCC(CN4CCC5(CC4)CC(NC(=O)OCc4ccccc4)C5)CC3)c2)c(OCc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
CHRM4 P08173 2/20 0.38
VCP P55072 1/20 0.38
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
SMPD3 Q9NY59 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR1A P08908 3/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
SYK P43405 1/20 0.36
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
KCNH2 Q12809 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL25819521 0.82 CHRM4 (0.45) CHRM4VCPENPP2ATXN2HRH1
SCHEMBL25935012 0.81 CHRM4 (0.40) CHRM4VCPSMPD3CNR1CNR2
SCHEMBL25819621 0.80 SMPD3 (0.40) ROCK2ENPP2ATXN2SMPD3CNR1
SCHEMBL25819522 0.79 CHRM4 (0.43) CHRM4VCPENPP2ATXN2HRH1
SCHEMBL25935332 0.78 ROCK2 (0.38) ROCK2ENPP2ATXN2SMPD3CNR1
SCHEMBL25819445 0.78 ROCK2 (0.38) ROCK2ENPP2ATXN2SMPD3CNR1
SCHEMBL25819578 0.78 HTR1A (0.45) HTR1AHTR1DHTR1B
SCHEMBL25819512 0.77 CHRM4 (0.48) CHRM4ENPP2ATXN2SYKKCNH2
SCHEMBL30135824 0.77 SYK (0.43) ROCK2CHRM4ENPP2ATXN2CNR1
SCHEMBL30135969 0.77 CHRM4 (0.42) CHRM4VCPENPP2ATXN2HRH1

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 2 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-20230219966-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-07-13 US 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 ROCK2 1042/4885CHRM4 4481/4885VCP 942/4885
US-11912710-B2 Substituted pyrimido[4,5-b][1,4]diazepines as PLK1 degradation inducers PLK1, BUB1B, BUB1 ROCK2 1114/4885CHRM4 4192/4885VCP 1694/4885

“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.