SCHEMBL21246768

SCHEMBL21246768

COc1nc2c(c(I)cn2CC(=O)O)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.38
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
FPR2 P25090 3/20 0.34
BCL6 P41182 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL21246933 0.89 SMN1; SMN2 (0.43) MTNR1AMTNR1BFPR2BCL6ALDH1A1
SCHEMBL21262079 0.87 LMNA (0.39) ADORA2BHDAC6LMNAFPR2ALDH1A1
SCHEMBL21262367 0.77 SMN1; SMN2 (0.41) LMNAMTNR1AMTNR1BFPR2ALDH1A1
SCHEMBL21262019 0.75 SMN1; SMN2 (0.43) MTNR1AMTNR1BFPR2ALDH1A1KDM4E
SCHEMBL21246767 0.74 SMN1; SMN2 (0.43) MTNR1AMTNR1BFPR2ALDH1A1KDM4E
SCHEMBL21262261 0.74 ADORA2B (0.47) ADORA2BHDAC6LMNAFPR2BCL6
SCHEMBL21262424 0.71 SMN1; SMN2 (0.40) FPR2BCL6SMN1; SMN2
SCHEMBL21262199 0.70 KDM4E (0.37) LMNAALDH1A1KDM4EPOLBMAPT
SCHEMBL21262211 0.68 FPR2 (0.37) FPR2ALDH1A1HPGDKDM4EPOLB
SCHEMBL21246819 0.67 PTGS2 (0.37) HDAC6FPR2ALDH1A1KDM4EPOLB

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 ADORA2B 4831/4885HDAC6 613/4885LMNA 2458/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 ADORA2B 4859/4885HDAC6 416/4885LMNA 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.