SCHEMBL22758237

SCHEMBL22758237

CC(C)c1cnc2ccccc2c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GPR3 P46089 1/20 0.48
LRRK2 Q5S007 1/20 0.41
MPO P05164 1/20 0.37
ERN1 O75460 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
MET P08581 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDPK1 O15530 1/20 0.35
NCF1 P14598 1/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL827432 0.78 KDM4E (0.45) KDM4EGPR3LRRK2MPOERN1
SCHEMBL23027927 0.78 GPR3 (0.45) KDM4EGPR3LRRK2MPOERN1
SCHEMBL14205601 0.78 MAPT (0.52) KDM4EERN1ALOX5APFEN1MET
SCHEMBL21364626 0.77 KDM4E (0.44) KDM4EGPR3LRRK2MPOERN1
SCHEMBL22758231 0.77 MAOA (0.47) KDM4EGPR3LRRK2MPOERN1
SCHEMBL22758306 0.77 KDM4E (0.40) KDM4EGPR3LRRK2MPOTLR7
SCHEMBL23474020 0.76 GPR3 (0.52) KDM4EGPR3ERN1SMN1; SMN2TLR7
SCHEMBL12880445 0.75 PARP1 (0.39) ALOX5APFEN1
SCHEMBL22758192 0.74 KDM4E (0.41) KDM4EGPR3LRRK2MPOERN1
SCHEMBL18368376 0.73 ALOX5AP (0.36) KDM4EGPR3ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11248007-B2 Inhibitors of MALT1 and uses thereof CORNELL UNIVERSITY (US) 2022-02-15 US disclosed
US-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF CORNELL UNIVERSITY (US) 2020-12-10 US 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-20200385405-A1 INHIBITORS OF MALT1 AND USES THEREOF MALT1, BCL6, BCL3 KDM4E 1844/4885GPR3 3780/4885LRRK2 1397/4885
US-11248007-B2 Inhibitors of MALT1 and uses thereof MALT1, BCL6, BCL3 KDM4E 1844/4885GPR3 3780/4885LRRK2 1397/4885

“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.