SCHEMBL31525713

SCHEMBL31525713

COc1ccc(C(C)(O)C(F)(F)F)nc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
ADORA2A P29274 1/20 0.36
NR3C1 P04150 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
PDE4B Q07343 5/20 0.32
PDE4A P27815 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
S1PR1 P21453 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NQO2 P16083 1/20 0.32
NR3C2 P08235 2/20 0.32
PDE11A Q9HCR9 1/20 0.32

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
SCHEMBL31525806 0.83 KDM4E (0.33) PDE4BS1PR1KDM4ENQO2PTGS1
SCHEMBL131985 0.83 ADORA2A (0.36) ADORA2AKDM4ENQO2
SCHEMBL30828981 0.83 ADORA2A (0.36) ADORA2AKDM4ENQO2
SCHEMBL30358862 0.81 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7917474 0.81 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL16545021 0.79 NR3C2 (0.34) NR3C1PDE4BS1PR1NR3C2PDE11A
SCHEMBL31525694 0.77 KDM4E (0.33) PDE4BS1PR1KDM4EPTGS1PTGS2
SCHEMBL16533345 0.75 ALDH1A1 (0.33) S1PR1KDM4ENR3C2
SCHEMBL31525354 0.74 SMN1; SMN2 (0.38) HSD11B1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL17353809 0.69 HSD11B1 (0.40) HSD11B1ADORA2APDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304535-A1 KAT6 Inhibitors BEIGENE SWITZERLAND GMBH (CH) 2025-10-02 US disclosed
WO-2025201504-A1 KAT6 INHIBITORS BEIGENE (SUZHOU) CO., LTD. (CN) 2025-10-02 WO disclosed
US-20250122152-A1 KAT6 Inhibitors BEIGENE SWITZERLAND GMBH (CH) 2025-04-17 US disclosed
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 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-20250304535-A1 KAT6 Inhibitors KAT6A, KAT6B, KAT2A HSD11B1 1267/4885ADORA2A 3548/4885NR3C1 194/4885
US-20250122152-A1 KAT6 Inhibitors KAT6A, KAT6B, KAT7 HSD11B1 1133/4885ADORA2A 4691/4885NR3C1 866/4885

“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.