SCHEMBL21246853

SCHEMBL21246853

Cc1c(N2CCOCC2)ncc(Cl)c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CNR2 P34972 1/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LRRK2 Q5S007 2/20 0.40
PIK3CA P42336 5/20 0.40
MTOR P42345 4/20 0.40
NUDT1 P36639 1/20 0.39
PIK3R1 P27986 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL21246691 0.81 KDM4E (0.53) GAAKDM4ESMN1; SMN2LRRK2PIK3CA
SCHEMBL21262179 0.81 KDM4E (0.47) GAAKDM4ECNR2MAPTTHRB
SCHEMBL765394 0.78 LRRK2 (0.44) KDM4ECNR2LRRK2KMT2ANPSR1
SCHEMBL16856935 0.75 GAA (0.44) GAAKDM4EMAPTTHRBSMN1; SMN2
SCHEMBL23019331 0.74 PIK3CA (0.49) GAAKDM4EMAPTPIK3CAMTOR
SCHEMBL3544476 0.74 MAPT (0.54) GAAKDM4ECNR2MAPTTHRB
SCHEMBL5184433 0.73 MAPT (0.53) GAAKDM4ECNR2MAPTTHRB
SCHEMBL17623135 0.72 KDM4E (0.70) GAAKDM4ELRRK2PIK3CAMTOR
SCHEMBL21246781 0.71 KDM4E (0.55) GAAKDM4ECNR2SMN1; SMN2LRRK2
SCHEMBL2144542 0.71 KDM4E (0.46) GAAKDM4EMAPTLRRK2PIK3CA

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 5 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
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
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 GAA 4142/4885KDM4E 274/4885CNR2 4769/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 GAA 4046/4885KDM4E 364/4885CNR2 4806/4885

“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.