SCHEMBL24916356

SCHEMBL24916356

CCc1cc(C(=O)NCC2CCNC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 9/20 0.44
TLR8 Q9NR97 9/20 0.44
TLR7 Q9NYK1 9/20 0.44
PBK Q96KB5 5/20 0.43
HTR4 Q13639 2/20 0.39
KDM1A O60341 1/20 0.39
SMYD3 Q9H7B4 2/20 0.39
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL24916011 0.93 PBK (0.38) TLR9TLR8TLR7PBK
SCHEMBL24915525 0.87 CNR2 (0.46)
SCHEMBL24916196 0.82 PFKFB3 (0.38) HTR4
SCHEMBL24915977 0.81 CNR2 (0.42) TLR9TLR8TLR7PBK
SCHEMBL24915998 0.80 SMYD3 (0.47) SMYD3
SCHEMBL24916193 0.79 CSF1R (0.38) TLR9TLR8TLR7
SCHEMBL24915997 0.79 GPR52 (0.39)
SCHEMBL24915849 0.78 PLK1 (0.37)
SCHEMBL24916002 0.78 SMYD3 (0.43) SMYD3
SCHEMBL24916013 0.78 MAP4K4 (0.40) TLR8TLR7

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 TLR9 4379/4885TLR8 4298/4885TLR7 4346/4885

“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.