SCHEMBL24915943

SCHEMBL24915943

CCc1cc(C(=O)NC2CN(C(=O)C3CCOCC3)C2)c2nccc(C(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
PDE4B Q07343 3/20 0.35
KDM5A P29375 2/20 0.35
P2RX3 P56373 1/20 0.34
F2R P25116 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
NPY5R Q15761 1/20 0.34
HTR4 Q13639 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL24916194 0.89 CNR2 (0.42) CNR2TLR9TLR8TLR7PDE4B
SCHEMBL24915528 0.88 CNR2 (0.45) CNR2PDE4BP2RX3SMYD3PIK3C3
SCHEMBL24916007 0.86 CNR2 (0.41) CNR2TLR9TLR8TLR7MAP4K4
SCHEMBL24916371 0.86 MAP4K4 (0.39) MAP4K4KDM5ASMYD3
SCHEMBL24915998 0.83 SMYD3 (0.47) CNR2SMYD3PIK3C3
SCHEMBL29923504 0.82 CHRM1 (0.44) CNR2MAP4K4PIK3CDPIK3R1PIK3CA
SCHEMBL24915710 0.82 KDM5A (0.40) KDM5AF2RSMYD3CYP3A4CYP2D6
SCHEMBL24916002 0.82 SMYD3 (0.43) CNR2SMYD3
SCHEMBL24915529 0.81 HTR7 (0.42) PIK3CAKDM5ASMYD3
SCHEMBL24915530 0.80 HTR7 (0.42) SMYD3

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 3646/4885TLR9 4379/4885TLR8 4298/4885

“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.