SCHEMBL23966920

SCHEMBL23966920

CC(C)c1cc(C2(C(F)(F)F)CC2)no1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
TSHR P16473 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
TP53 P04637 3/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
BRAF P15056 1/20 0.30
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL25795077 0.93 BRAF (0.35) SMN1; SMN2NPC1RAB9ATSHRS1PR1
SCHEMBL25802867 0.76 BRAF (0.32) BRAF
SCHEMBL23966711 0.76 MEN1 (0.38) SMN1; SMN2NPC1RAB9A
SCHEMBL16536514 0.75 NEK7 (0.32)
SCHEMBL25799350 0.74 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9ATSHRS1PR1
SCHEMBL24072581 0.72 TRPM8 (0.34) MAPK1BRAF
SCHEMBL23966823 0.72 NEK7 (0.30)
SCHEMBL25793068 0.72 BRAF (0.42) BRAFALDH1A1
SCHEMBL25800378 0.71 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ATSHRS1PR1
SCHEMBL23966732 0.71 GRM5 (0.33) BRAFALDH1A1

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
WO-2021252488-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-16 WO disclosed
WO-2021242505-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-02 WO 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 (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-20210355130-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 SMN1; SMN2 3247/4885NPC1 414/4885RAB9A 2987/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 SMN1; SMN2 3247/4885NPC1 414/4885RAB9A 2987/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 SMN1; SMN2 3670/4885NPC1 348/4885RAB9A 3477/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 SMN1; SMN2 3247/4885NPC1 414/4885RAB9A 2987/4885

“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.