SCHEMBL23966685

SCHEMBL23966685

CC(C)(C)c1cc(C(C)(C)C#N)no1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR2 P34972 7/20 0.37
CNR1 P21554 3/20 0.37
EGFR P00533 1/20 0.36
RAPGEF3 O95398 4/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL25796919 0.82 CNR2 (0.36) CNR2CNR1
SCHEMBL84872 0.79 MEN1 (0.48) MEN1KMT2ACNR2CNR1EGFR
SCHEMBL20320548 0.78 CNR2 (0.38) CNR2CNR1NPC1RAB9A
SCHEMBL1012771 0.77 CNR2 (0.37) CNR2CNR1
SCHEMBL25803019 0.77 MEN1 (0.38) MEN1KMT2AEGFRRAPGEF3NPC1
SCHEMBL25799445 0.76 CNR2 (0.39) CNR2CNR1NPC1RAB9A
SCHEMBL18471564 0.74 MEN1 (0.44) MEN1KMT2ACNR2CNR1EGFR
SCHEMBL23966689 0.74 MEN1 (0.44) MEN1KMT2ACNR2CNR1EGFR
SCHEMBL9891488 0.74 MEN1 (0.44) MEN1KMT2ACNR2CNR1EGFR
SCHEMBL13230275 0.74 MEN1 (0.44) MEN1KMT2ACNR2CNR1EGFR

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-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-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 (3 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-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885CNR2 3084/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 MEN1 3098/4885KMT2A 4530/4885CNR2 4544/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885CNR2 3084/4885

“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.