SCHEMBL16765873

SCHEMBL16765873

CC(C)(C)OC(=O)Nc1cccc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 2/20 0.62
MAP4K4 O95819 2/20 0.59
BTK Q06187 3/20 0.55
JAK3 P52333 2/20 0.55
PDE10A Q9Y233 2/20 0.54
AURKA O14965 3/20 0.50
PDPK1 O15530 3/20 0.50
AURKB Q96GD4 3/20 0.50
SYK P43405 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
SUV39H2 Q9H5I1 4/20 0.45

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
SCHEMBL16765875 1.00 KIF18A (0.62) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL16765712 0.90 KIF18A (0.54) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL16765711 0.90 KIF18A (0.54) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL23104518 0.86 MAP4K4 (0.66) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL16790987 0.86 KIF18A (0.53) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL12804703 0.86 MAP4K4 (0.60) KIF18AMAP4K4BTKJAK3PDE10A
Hydrochloric Acid SCHEMBL16765843 0.85 KIF18A (0.53) KIF18AMAP4K4BTKJAK3PDE10A
Hydrochloric Acid SCHEMBL16765842 0.85 KIF18A (0.53) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL15609396 0.84 MAP4K4 (0.58) KIF18AMAP4K4BTKJAK3PDE10A
SCHEMBL27938543 0.84 MAP4K4 (0.62) KIF18AMAP4K4BTKJAK3PDE10A

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 7 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-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY HOFFMANN LA ROCHE (CH) 2017-09-06 EP disclosed
US-9260415-B2 Heteroaryl pyridone and aza-pyridone compounds with electrophilic functionality GENENTECH, INC. (US) 2016-02-16 US 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
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.