Sugi Predict

Sugi Predict / Compounds / SCHEMBL23966686

SCHEMBL23966686

SCHEMBL23966686

CC(C)(C)c1cc(C(C)(C)C(F)F)no1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ EGFR P00533 3/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 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
SCHEMBL25792438 0.87 MEN1 (0.40) MEN1KMT2AEGFRMAPK14SMN1; SMN2
SCHEMBL84872 0.79 MEN1 (0.48) MEN1KMT2AEGFRMAPK14SMN1; SMN2
SCHEMBL24096701 0.78 TRPM8 (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23966689 0.78 MEN1 (0.44) MEN1KMT2AEGFRMAPK14SMN1; SMN2
SCHEMBL9891488 0.78 MEN1 (0.44) MEN1KMT2AEGFRMAPK14SMN1; SMN2
SCHEMBL18471564 0.78 MEN1 (0.44) MEN1KMT2AEGFRMAPK14SMN1; SMN2
SCHEMBL23966692 0.74 MEN1 (0.42) MEN1KMT2AEGFRMAPK14SMN1; SMN2
SCHEMBL13230275 0.74 MEN1 (0.44) MEN1KMT2AEGFRMAPK14SMN1; SMN2
SCHEMBL26152889 0.72 MEN1 (0.43) MEN1KMT2AEGFRMAPK14SMN1; SMN2
SCHEMBL26151606 0.71 MEN1 (0.42) MEN1KMT2AEGFRMAPK14SMN1; SMN2

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 6 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-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 MEN1 1800/4885KMT2A 2881/4885EGFR 4664/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885EGFR 4553/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 MEN1 3098/4885KMT2A 4530/4885EGFR 4872/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 MEN1 1766/4885KMT2A 2554/4885EGFR 4553/4885

“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.