SCHEMBL16766240

SCHEMBL16766240

CC#CC(=O)NCCOc1cccc(Nc2cc(Br)cn(C)c2=O)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.53
▸ MKNK1 Q9BUB5 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ ITK Q08881 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ ERBB4 Q15303 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK3 P27361 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ ADRA1A P35348 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
SCHEMBL16766386 0.86 BTK (0.41) BTKMKNK1MKNK2SYKEGFR
SCHEMBL16791403 0.85 BTK (0.52) BTKITKEGFR
SCHEMBL16766383 0.84 BTK (0.54) BTKMKNK1MKNK2SYKMAPK8
SCHEMBL16765813 0.84 BTK (0.43) BTKEGFR
SCHEMBL16802706 0.84 BTK (0.38) BTKMKNK1MKNK2SYKMAPK8
Hydrochloric Acid SCHEMBL16765882 0.83 BTK (0.37) BTKMKNK1MKNK2SYKMAPK8
SCHEMBL16791398 0.83 BTK (0.37) BTKMKNK1MKNK2SYKMAPK8
SCHEMBL16790973 0.82 BRD4 (0.37) BTKEGFRMAPK8
SCHEMBL16790985 0.81 BTK (0.35) BTKEGFRMAPK8
SCHEMBL16766621 0.81 BTK (0.37) BTKSYKMAPK8

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 BTK 1/4885MKNK1 573/4885MKNK2 358/4885

“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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