SCHEMBL30059554

SCHEMBL30059554

COC(=O)Nc1cc(-c2cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 1.00
MKNK1 Q9BUB5 4/20 0.79
GAK O14976 3/20 0.79
CIT O14578 3/20 0.79
MYLK2 Q9H1R3 3/20 0.79
CYP3A4 P08684 2/20 0.79
ROCK2 O75116 2/20 0.79
TNIK Q9UKE5 2/20 0.79
BMP2K Q9NSY1 4/20 0.72
MKNK2 Q9HBH9 2/20 0.72
DAPK3 O43293 1/20 0.72
JAK2 O60674 1/20 0.72
DAPK1 P53355 1/20 0.72
TYRO3 Q06418 1/20 0.72
DMPK Q09013 1/20 0.72
HIPK4 Q8NE63 1/20 0.72
SLC6A2 P23975 1/20 0.69
CHRNA7 P36544 1/20 0.69
KCNH2 Q12809 1/20 0.69
PRKCB P05771 1/20 0.69

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
SCHEMBL20154451 1.00 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2
SCHEMBL17155450 1.00 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2
SCHEMBL30578941 1.00 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2
SCHEMBL17143553 0.92 AAK1 (0.85) AAK1MKNK1GAKCITMYLK2
SCHEMBL20738221 0.90 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2
SCHEMBL17155570 0.90 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2
SCHEMBL29400561 0.90 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2
SCHEMBL17155656 0.90 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2
SCHEMBL17155448 0.90 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2
SCHEMBL29400172 0.90 AAK1 (1.00) AAK1MKNK1GAKCITMYLK2

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-20250262197-A1 COMPOUNDS AND METHODS FOR TREATING CHEMOTHERAPY-INDUCED PAIN LEXICON PHARMACEUTICALS, INC. (US) 2025-08-21 US disclosed
CN-118973576-A Compounds and methods for treating spasticity 莱西肯医药有限公司 2024-11-15 CN disclosed
CN-115484951-A AAK1 inhibitors for the treatment of viral infections 莱西肯医药有限公司 2022-12-16 CN 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 (1 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-20250262197-A1 COMPOUNDS AND METHODS FOR TREATING CHEMOTHERAPY-INDUCED PAIN PNCK, CAMKK1, CAMK2G AAK1 33/4885MKNK1 194/4885GAK 322/4885

“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.