SCHEMBL21262136

SCHEMBL21262136

CC(C)(C)OC(=O)Cn1cc(I)c2c(Cl)nc(Cl)nc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.33
FPR2 P25090 1/20 0.33
HDAC6 Q9UBN7 2/20 0.31
P2RX7 Q99572 2/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
YTHDC1 Q96MU7 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
SCHEMBL30137162 1.00 KDM4E (0.34) KDM4EALDH1A1KMT2AFPR2HDAC6
SCHEMBL21262137 0.89 KDM4E (0.36) KDM4EALDH1A1KMT2AFPR2HDAC6
SCHEMBL30137171 0.89 KDM4E (0.36) KDM4EALDH1A1KMT2AFPR2HDAC6
SCHEMBL21262138 0.86 HDAC6 (0.35) KDM4EALDH1A1KMT2AFPR2HDAC6
SCHEMBL30137175 0.86 HDAC6 (0.35) KDM4EALDH1A1KMT2AFPR2HDAC6
SCHEMBL4007105 0.83 ADK (0.40) KDM4EALDH1A1KMT2AFPR2HDAC6
SCHEMBL22412661 0.75 P2RX7 (0.55) ALDH1A1HDAC6P2RX7YTHDC1
SCHEMBL16688836 0.75 HDAC1 (0.43) KDM4EALDH1A1KMT2AFPR2HDAC6
SCHEMBL21246772 0.75 FPR2 (0.41) KDM4EALDH1A1KMT2AFPR2HDAC6
SCHEMBL23885190 0.73 DYRK3 (0.50)

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 6 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
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

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 KDM4E 274/4885ALDH1A1 3501/4885KMT2A 544/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 KDM4E 364/4885ALDH1A1 3306/4885KMT2A 800/4885

“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.