SCHEMBL23966768

SCHEMBL23966768

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.39
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
EPHX2 P34913 1/20 0.34
SCN9A Q15858 1/20 0.34
TLR7 Q9NYK1 1/20 0.32
CNR2 P34972 1/20 0.32
SCD5 Q86SK9 1/20 0.32
POLB P06746 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
TSHR P16473 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL24096697 0.82 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL24072587 0.81 MAPT (0.45) NOS3NOS1NOS2TLR7
SCHEMBL25796813 0.79 NOS3 (0.34) SMN1; SMN2NOS3NOS1NOS2EPHX2
SCHEMBL23966717 0.78 EGFR (0.36) NOS3NOS1NOS2EPHX2CNR2
SCHEMBL25819005 0.74 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL15009179 0.72 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2SCD5POLBNPC1
SCHEMBL10271203 0.70 SMN1; SMN2 (0.43) SMN1; SMN2EPHX2NPC1RAB9ATSHR
SCHEMBL21906804 0.69 MAPT (0.46) SMN1; SMN2ALDH1A1
SCHEMBL440363 0.69 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2TLR7SCD5POLB
SCHEMBL1106843 0.69 SMN1; SMN2 (0.42) SMN1; SMN2NOS3NOS1NOS2EPHX2

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 3 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-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 SMN1; SMN2 3247/4885NOS3 944/4885NOS1 895/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 SMN1; SMN2 3670/4885NOS3 1760/4885NOS1 1810/4885
US-11161852-B1 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 SMN1; SMN2 3247/4885NOS3 944/4885NOS1 895/4885

“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.