SCHEMBL16766340

SCHEMBL16766340

CN(CCOc1cccc(Nc2cc(Br)cn(C)c2=O)n1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.41
▸ BRD4 O60885 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ KAT5 Q92993 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.31
▸ SIK1 P57059 1/20 0.31
▸ SIK2 Q9H0K1 1/20 0.31
▸ SIK3 Q9Y2K2 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL16766048 0.85 BTK (0.53) BTKHTR7
SCHEMBL16765813 0.84 BTK (0.43) BTKPDK2
SCHEMBL16790973 0.80 BRD4 (0.37) BTKBRD4HTR7MAPK8
SCHEMBL16766621 0.79 BTK (0.37) BTKHTR7MAPK8
SCHEMBL16790985 0.79 BTK (0.35) BTKBRD4MAPK8
SCHEMBL16766950 0.79 BTK (0.41) BTKAAK1MKNK2
SCHEMBL16766949 0.79 BTK (0.41) BTKAAK1MKNK2
SCHEMBL10256786 0.79 BRD4 (0.34) BRD4AAK1MKNK2
SCHEMBL16802706 0.79 BTK (0.38) BTKHTR7MAPK8MKNK2
Hydrochloric Acid SCHEMBL16766354 0.79 BTK (0.36) BTKHTR7MAPK8

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 BTK 1/4885BRD4 292/4885PDK2 348/4885

“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.

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