SCHEMBL16765813

SCHEMBL16765813

Cn1cc(Br)cc(Nc2cccc(OCCNC(=O)OC(C)(C)C)n2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.43
▸ CAMK2D Q13557 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ SUV39H2 Q9H5I1 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35

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) BTKEGFRKDR
SCHEMBL16791403 0.85 BTK (0.52) BTKEGFRKDR
SCHEMBL16766950 0.84 BTK (0.41) BTKEGFR
SCHEMBL16766949 0.84 BTK (0.41) BTKEGFR
SCHEMBL16766340 0.84 BTK (0.41) BTKPDK2
SCHEMBL16766240 0.84 BTK (0.53) BTKEGFR
SCHEMBL16802706 0.84 BTK (0.38) BTK
Hydrochloric Acid SCHEMBL16765882 0.83 BTK (0.37) BTK
SCHEMBL16790973 0.82 BRD4 (0.37) BTKEGFR
SCHEMBL16790985 0.81 BTK (0.35) BTKEGFR

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 1/4885CAMK2D 1193/4885SCN9A 4598/4885

“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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