SCHEMBL24916248

SCHEMBL24916248

COc1cc(C(=O)NC2CNC2)c2ncc(CCc3cc(C(=O)NC4CNC4)c4nccc(C(C)C)c4c3)c(C(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
HTR4 Q13639 3/20 0.33
SLC2A1 P11166 2/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
NR3C2 P08235 1/20 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
SCHEMBL24916523 0.78 SMYD3 (0.34) CNR2TLR8TLR7TLR9
SCHEMBL24916014 0.74 MAP4K4 (0.36) TLR8TLR7TLR9
SCHEMBL24916238 0.73 FGFR3 (0.32)
SCHEMBL24916217 0.73 CALM1 (0.33) TLR7
SCHEMBL24916369 0.73 MAP4K4 (0.39) HTR4SLC2A1
SCHEMBL24915855 0.72 ALDH1A1 (0.45) MTNR1AMTNR1B
SCHEMBL24915850 0.72 KDM4E (0.47) CNR2
SCHEMBL24915856 0.71 JAK2 (0.42)
SCHEMBL24915854 0.71 MTNR1A (0.43) MTNR1A
SCHEMBL24915998 0.70 SMYD3 (0.47) CNR2

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 CNR2 3646/4885HTR4 4061/4885SLC2A1 3666/4885

“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.