SCHEMBL16765884

SCHEMBL16765884

C=CC(=O)N[C@@H](C)COc1cccc(Nc2cc(Br)cn(C)c2=O)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.53
▸ EGFR P00533 10/20 0.36
▸ KDR P35968 6/20 0.36
▸ CTSC P53634 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ FGFR4 P22455 1/20 0.33

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
SCHEMBL16765885 1.00 BTK (0.53) BTKEGFRKDRCTSCBRD4
SCHEMBL16766949 0.85 BTK (0.41) BTKEGFR
SCHEMBL16766950 0.85 BTK (0.41) BTKEGFR
SCHEMBL16790980 0.84 BTK (0.41) BTK
SCHEMBL16791403 0.84 BTK (0.52) BTKEGFRKDRCTSC
SCHEMBL16798105 0.82 BTK (0.36) BTK
SCHEMBL16790979 0.82 BTK (0.36) BTK
Hydrochloric Acid SCHEMBL16766503 0.81 BTK (0.36) BTK
Hydrochloric Acid SCHEMBL16766505 0.81 BTK (0.36) BTK
SCHEMBL16766048 0.79 BTK (0.53) BTKEGFRKDR

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 9 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
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-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
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 1/4885EGFR 563/4885KDR 599/4885

“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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