SCHEMBL24915689

SCHEMBL24915689

CCc1cc(N2CCN(C3COC3)CC2)c2nc(C)cc(C(C)C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.35
TLR7 Q9NYK1 7/20 0.35
TLR9 Q9NR96 6/20 0.35
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
ALK Q9UM73 2/20 0.33
HTR1A P08908 1/20 0.33
INSR P06213 1/20 0.31
RORC P51449 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
OPRK1 P41145 2/20 0.30

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
SCHEMBL24915707 0.89 SOS1 (0.36) OPRK1
SCHEMBL24915894 0.86 HTR1A (0.33) HTR1A
SCHEMBL24916406 0.85 HPGD (0.42)
SCHEMBL24916055 0.83 DRD2 (0.41) TLR8TLR7TLR9HTR1A
SCHEMBL24915994 0.83 TLR9 (0.35) TLR8TLR7TLR9USP1WDR48
SCHEMBL24916407 0.82 GPR4 (0.33) TLR8TLR7TLR9HTR1A
SCHEMBL24916408 0.76 PIK3CD (0.33) TLR8TLR7HTR1A
SCHEMBL24915986 0.73 SOS1 (0.38)
SCHEMBL24915706 0.72
SCHEMBL17642726 0.67 GAA (0.40) ALKINSRRORCPIK3CAMTOR

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 TLR8 4298/4885TLR7 4346/4885TLR9 4379/4885

“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.