SCHEMBL22758306

SCHEMBL22758306

CC(C)c1cnc2ccccc2c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GPR3 P46089 1/20 0.40
TLR7 Q9NYK1 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CCNE2 O96020 4/20 0.36
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
MPO P05164 1/20 0.34
POLB P06746 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
GAA P10253 1/20 0.33
BACE1 P56817 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL22758200 0.79 MALT1 (0.40) KDM4EGPR3LRRK2MPOPOLB
SCHEMBL11161720 0.79 KDM4E (0.42) KDM4EGPR3TLR7CCNE2CCNE1
SCHEMBL22758237 0.77 KDM4E (0.48) KDM4EGPR3TLR7LRRK2MPO
SCHEMBL24910161 0.75 NR1H2 (0.35) TLR7ADORA2ACCNE2CCNE1CDK2
SCHEMBL24910165 0.75 POLB (0.39) KDM4EGPR3TLR7ADORA2ALRRK2
SCHEMBL23027927 0.74 GPR3 (0.45) KDM4EGPR3TLR7LRRK2MPO
SCHEMBL827432 0.74 KDM4E (0.45) KDM4EGPR3TLR7LRRK2MPO
SCHEMBL22758231 0.73 MAOA (0.47) KDM4EGPR3LRRK2MPO
SCHEMBL21364626 0.73 KDM4E (0.44) KDM4EGPR3LRRK2MPOCYP1A2
SCHEMBL16132395 0.72 KDM4E (0.40) KDM4EGPR3TLR7ADORA2AADORA1

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 3780/4885TLR7 3989/4885
US-11248007-B2 Inhibitors of MALT1 and uses thereof MALT1, BCL6, BCL3 KDM4E 1844/4885GPR3 3780/4885TLR7 3989/4885

“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.