SCHEMBL16766239

SCHEMBL16766239

CC(C)(C)OC(=O)Nc1cccc(N2CCCC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 15/20 0.54
MAP4K4 O95819 2/20 0.42
BTK Q06187 2/20 0.39
JAK3 P52333 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL16766237 1.00 KIF18A (0.54) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL16790987 0.84 KIF18A (0.53) KIF18AMAP4K4BTKJAK3PDE10A
Hydrochloric Acid SCHEMBL16765843 0.83 KIF18A (0.53) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL16765875 0.83 KIF18A (0.62) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL16765873 0.83 KIF18A (0.62) KIF18AMAP4K4BTKJAK3PDE10A
Hydrochloric Acid SCHEMBL16765842 0.83 KIF18A (0.53) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL16765712 0.78 KIF18A (0.54) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL16765711 0.78 KIF18A (0.54) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL13488656 0.75 CDK5 (0.52) KIF18A
SCHEMBL18427265 0.75 GSK3B (0.41) KIF18AMAP4K4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077384-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY HOFFMANN LA ROCHE (CH) 2017-09-06 EP disclosed
EP-3077384-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY F. Hoffmann-La Roche AG (CH) 2016-10-12 EP disclosed
US-9260415-B2 Heteroaryl pyridone and aza-pyridone compounds with electrophilic functionality GENENTECH, INC. (US) 2016-02-16 US disclosed
US-20150158846-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY GENENTECH, INC. (US) 2015-06-11 US disclosed
WO-2015082583-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY F. HOFFMANN-LA ROCHE AG (CH) 2015-06-11 WO 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-20150158846-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY BTK, TYK2, LCK KIF18A 3923/4885MAP4K4 175/4885BTK 1/4885

“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.