SCHEMBL21246992

SCHEMBL21246992

CC(=O)n1cc(I)c2c(=O)n(C)cnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 3/20 0.38
BCAT2 O15382 2/20 0.38
HPGD P15428 1/20 0.38
ADORA2B P29275 6/20 0.37
POLB P06746 2/20 0.37
MAP2K1 Q02750 2/20 0.35
ACHE P22303 2/20 0.35
ADORA2A P29274 2/20 0.35
PIK3CD O00329 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CNR1 P21554 1/20 0.35
ADORA1 P30542 1/20 0.35
NTSR1 P30989 1/20 0.35
MC3R P41968 1/20 0.35
NOTUM Q6P988 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
GDA Q9Y2T3 1/20 0.35
NR2E1 Q9Y466 1/20 0.35

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
SCHEMBL15520084 0.82 PIK3CD (0.34) MAPTTHRBLMNABCAT2HPGD
SCHEMBL15519349 0.80 ADORA2A (0.41) LMNABCAT2HPGDADORA2BPOLB
SCHEMBL21262261 0.75 ADORA2B (0.47) MAPTLMNABCAT2HPGDADORA2B
SCHEMBL21246931 0.73 SRC (0.37) MAPTLMNABCAT2HPGDKMT2A
SCHEMBL21246736 0.72 SMN1; SMN2 (0.50) POLBTSHRSMN1; SMN2KMT2A
SCHEMBL21261983 0.71 FPR2 (0.39) PIK3CD
SCHEMBL21246861 0.71 ADK (0.47) MEN1KMT2A
SCHEMBL15801428 0.65 ADORA2A (0.42) MAPTTHRBLMNABCAT2HPGD
SCHEMBL20224870 0.64 MAP2K1 (0.42) LMNABCAT2HPGDADORA2BPOLB
SCHEMBL20224896 0.64 ADORA2A (0.41) LMNABCAT2HPGDADORA2BPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
US-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-12-06 US disclosed
EP-3749672-B1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RES OICR (CA) 2022-07-27 EP disclosed
EP-3749672-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF Ontario Institute for Cancer Research (OICR) (CA) 2020-12-16 EP disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-10-22 US disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 WO disclosed
WO-2019153080-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-08-15 WO 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 (2 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-11518764-B2 Substituted heteroaryls as inhibitors of the BCL6 BTB domain protein-protein interaction BCL6, BCL6B, BCL3 MAPT 2333/4885THRB 1582/4885LMNA 2458/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 MAPT 2192/4885THRB 1735/4885LMNA 2234/4885

“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.