SCHEMBL23966717

SCHEMBL23966717

CC(C)(C)c1cc(CN2CC(F)(F)C2)no1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CNR2 P34972 6/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR1 P21554 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.31
HTR7 P34969 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
SCHEMBL25792446 0.89 HPGD (0.38) EGFRHPGDMEN1KMT2ACNR2
SCHEMBL25819005 0.87 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL24072587 0.79 MAPT (0.45) NOS3NOS1NOS2
SCHEMBL23966768 0.78 SMN1; SMN2 (0.39) CNR2NOS3NOS1NOS2NPC1
SCHEMBL23966710 0.76 KDM4E (0.46) EGFRHPGDTSHR
SCHEMBL25796813 0.76 NOS3 (0.34) NOS3NOS1NOS2EPHX2
SCHEMBL24096697 0.71 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL9610944 0.70 MEN1 (0.44) EGFRHPGDMEN1KMT2ANPC1
SCHEMBL18471563 0.69 MEN1 (0.41) EGFRHPGDMEN1KMT2ACNR2
SCHEMBL21325316 0.69 MEN1 (0.41) EGFRHPGDMEN1KMT2ACNR2

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 7 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-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 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 (4 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 EGFR 4664/4885HPGD 2484/4885MEN1 1800/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 EGFR 4553/4885HPGD 2524/4885MEN1 1766/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 EGFR 4872/4885HPGD 1303/4885MEN1 3098/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 EGFR 4553/4885HPGD 2524/4885MEN1 1766/4885

“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.