SCHEMBL24916013

SCHEMBL24916013

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
CREBBP Q92793 1/20 0.35
HCRTR1 O43613 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HSP90AB1 P08238 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL24915997 0.90 GPR52 (0.39) EGLN1GPR52MEN1KMT2A
SCHEMBL24916028 0.88 NAAA (0.42) EGLN1L3MBTL1MEN1KMT2A
SCHEMBL24916021 0.86 KMT2A (0.45) MEN1KMT2A
SCHEMBL24915849 0.85 PLK1 (0.37) L3MBTL1HSP90AB1
SCHEMBL24916012 0.85 EGLN1 (0.34) EGLN1HSP90AB1MEN1KMT2A
SCHEMBL24915532 0.83 LMNA (0.48)
SCHEMBL24915998 0.82 SMYD3 (0.47) MEN1KMT2A
SCHEMBL24915525 0.82 CNR2 (0.46) MEN1KMT2A
SCHEMBL24916411 0.81 ACE2 (0.40) EGLN1L3MBTL1
SCHEMBL24916206 0.81 L3MBTL1 (0.45) MTNR1AMTNR1BL3MBTL1HSP90AB1

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 MAP4K4 1353/4885ACVR1B 4610/4885TGFBR1 3852/4885

“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.