SCHEMBL23453045

SCHEMBL23453045

CCCCNc1ncnc2c1ncn2CC(=O)N(CCNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)Cn1cnc2c(NCCCC)ncnc21)CC(=O)NCCN(CC(=O)OCC)C(=O)Cn1cnc2c(NCCCC)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TMIGD3 P0DMS9 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
BRD4 O60885 2/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33

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
SCHEMBL23453046 0.92 TMIGD3 (0.40) PDE4APDE4BPDE4CPDE4DTMIGD3
SCHEMBL23453059 0.86 TDP1 (0.41) TMIGD3ADORA2AADORA1HDAC1HDAC2
SCHEMBL23453049 0.83 TDP1 (0.41) TMIGD3ADORA2AADORA1HDAC1HDAC2
SCHEMBL23453058 0.80 HDAC1 (0.41) TMIGD3ADORA2AADORA1HDAC1HDAC2
SCHEMBL429777 0.79 BRD4 (0.35) ADORA1HDAC1HDAC2BRD4STK17B
SCHEMBL30254310 0.77 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DTMIGD3
SCHEMBL23453050 0.77 TDP1 (0.40) PDE4APDE4BPDE4CPDE4DTMIGD3
SCHEMBL431814 0.76 CCNE1 (0.40) ADORA2ABRD4CDK1CCNB1DOT1L
SCHEMBL8646092 0.76 FLT4 (0.40) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL432254 0.76 CCNE2 (0.40) HDAC1HDAC2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163541-A1 Method for Preparing PNA Oligomer SEASUNBIO MATERIALS (KR) 2021-06-03 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 (1 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-20210163541-A1 Method for Preparing PNA Oligomer NCL, NOD1, POLI PDE4A 2521/4885PDE4B 2482/4885PDE4C 2863/4885

“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.