SCHEMBL23977303

SCHEMBL23977303

C#Cc1ccc(Cn2cnc3c(N4CCNCC4)ncnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.57
PDE10A Q9Y233 4/20 0.56
HRH4 Q9H3N8 1/20 0.54
TLR7 Q9NYK1 3/20 0.51
HTR6 P50406 4/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PIK3CD O00329 1/20 0.44
TLR9 Q9NR96 1/20 0.41
ADORA2A P29274 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL30291239 1.00 HTR2C (0.57) HTR2CPDE10AHRH4TLR7HTR6
SCHEMBL23977316 0.87 HTR2C (0.55) HTR2CPDE10AHRH4TLR7HTR6
SCHEMBL30225357 0.87 HTR2C (0.55) HTR2CPDE10AHRH4TLR7HTR6
SCHEMBL30225539 0.86 HRH4 (0.73) HTR2CPDE10AHRH4TLR7ALDH1A1
SCHEMBL23977352 0.86 HRH4 (0.73) HTR2CPDE10AHRH4TLR7ALDH1A1
SCHEMBL23977294 0.78 HDAC6 (0.58) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL23977295 0.77 HRH4 (0.49) PDE10AHRH4ALDH1A1POLBHPGD
SCHEMBL30225385 0.77 ADORA2A (0.68) ALDH1A1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL23977384 0.77 ADORA2A (0.68) ALDH1A1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL23977241 0.76 HTR2C (0.46) HTR2CTLR7PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 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 (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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 HTR2C 4130/4885PDE10A 4588/4885HRH4 2797/4885

“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.