SCHEMBL23966743

SCHEMBL23966743

CC(C)(C)c1cc(C2(C)COC2)no1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.39
EGFR P00533 3/20 0.35
EPHX2 P34913 2/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR2 P34972 1/20 0.32
ATM Q13315 1/20 0.31
BRD4 O60885 1/20 0.31
MAPK14 Q16539 2/20 0.31
LMNA P02545 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
SCHEMBL23966690 0.85 MEN1 (0.44) MEN1KMT2AHPGDEGFREPHX2
SCHEMBL23966699 0.82 MEN1 (0.42) MEN1KMT2AHPGDEGFREPHX2
SCHEMBL25796810 0.77 CNR2 (0.30) CNR2
SCHEMBL24072575 0.76 SMN1; SMN2 (0.35) KMT2AEGFRNPC1RAB9APOLB
SCHEMBL23966775 0.74 KDM4E (0.33) MAPT
SCHEMBL25912590 0.73 SMN1; SMN2 (0.33) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL25795053 0.71 TP53 (0.31) POLB
SCHEMBL4009400 0.70 NOTUM (0.41) POLBCNR2
SCHEMBL23966711 0.70 MEN1 (0.38) MEN1KMT2AHPGDEGFREPHX2
SCHEMBL23966700 0.69 MEN1 (0.37) MEN1KMT2AHPGDEGFREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20210355130-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2021-11-18 US disclosed
US-11161852-B1 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2021-11-02 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 (5 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-20210355130-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885HPGD 2524/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885HPGD 2524/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 MEN1 3098/4885KMT2A 4530/4885HPGD 1303/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885HPGD 2524/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B MEN1 1466/4885KMT2A 865/4885HPGD 2542/4885

“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.