SCHEMBL21246691

SCHEMBL21246691

Cc1c(N2CCOCC2)ncc(F)c1N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 5/20 0.40
MTOR P42345 4/20 0.40
TSHR P16473 1/20 0.40
NUDT1 P36639 1/20 0.39
PIK3R1 P27986 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LRRK2 Q5S007 3/20 0.39
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSK P43235 1/20 0.38
SYK P43405 1/20 0.37

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
SCHEMBL21246781 0.87 KDM4E (0.55) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL21246853 0.81 GAA (0.47) KDM4EGAASMN1; SMN2PIK3CAMTOR
SCHEMBL19145279 0.78 KDM4E (0.51) KDM4ENPC1RAB9ASMN1; SMN2LRRK2
SCHEMBL21262657 0.77 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL13550493 0.74 KDM4E (0.69) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL1724026 0.74 KDM4E (0.51) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL14541937 0.74 KDM4E (0.69) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL17623135 0.72 KDM4E (0.70) KDM4EGAAPIK3CAMTORLRRK2
SCHEMBL21262179 0.72 KDM4E (0.47) KDM4EGAASMN1; SMN2PIK3CAMTOR
SCHEMBL21262656 0.71 KDM4E (0.47) KDM4EGAASMN1; SMN2PIK3CAMTOR

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-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
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 274/4885GAA 4142/4885NPC1 406/4885
US-20200331921-A1 INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF BCL6, BCL6B, BCL3 KDM4E 364/4885GAA 4046/4885NPC1 401/4885

“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.