SCHEMBL22864673

SCHEMBL22864673

CNC(=O)C1(C)CNc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC4 P56524 2/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL31378040 1.00 BRD4 (0.37) BRD4PDK2PDK4MEN1KMT2A
SCHEMBL29897781 0.81 BRD4 (0.39) BRD4PDK2PDK4MEN1KMT2A
SCHEMBL6448185 0.81 BRD4 (0.39) BRD4PDK2PDK4MEN1KMT2A
SCHEMBL29897761 0.81 KDM4E (0.43) BRD4PDK2PDK4MEN1KMT2A
SCHEMBL20506587 0.81 KDM4E (0.43) BRD4PDK2PDK4MEN1KMT2A
SCHEMBL22864629 0.80 BRD4 (0.38) BRD4PDK2PDK4KMT2ABACE1
SCHEMBL22130474 0.80 NR3C1 (0.32) BRD4
SCHEMBL26629779 0.76 BRD4 (0.39) BRD4PDK2PDK4BACE1MAPT
SCHEMBL9364772 0.74 BRD4 (0.59) BRD4MEN1KMT2AMAPTALDH1A1
SCHEMBL28770234 0.71 SMN1; SMN2 (0.38) BRD4PDK2PDK4BACE1MAPT

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-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 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 (1 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-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 BRD4 2999/4885PDK2 127/4885PDK4 199/4885

“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.