SCHEMBL16765892

SCHEMBL16765892

Cn1cc(Br)cc(Nc2cccc(O)n2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 6/20 0.33
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ BRD4 O60885 7/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BTK Q06187 1/20 0.30
▸ BRDT Q58F21 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
SCHEMBL1323108 0.84 XIAP (0.36) MAP2K1BRD4MAPTBTK
SCHEMBL24374901 0.80 BTK (0.40) MAP2K1POLBGAATDP1BRD4
SCHEMBL107748 0.79 MAPK8 (0.45) MAP2K1GRM5MAPTBTK
SCHEMBL105801 0.78 MEN1 (0.47) POLBGAABRD4BTK
SCHEMBL29742044 0.78 MEN1 (0.47) POLBGAABRD4BTK
SCHEMBL14913184 0.78 HTR3A (0.43) BTK
SCHEMBL31158079 0.78 HTR3A (0.43) BTK
SCHEMBL16790973 0.77 BRD4 (0.37) BRD4GRM5BTK
SCHEMBL16766621 0.77 BTK (0.37) MAP2K1BTK
SCHEMBL16790985 0.77 BTK (0.35) BRD4GRM5BTK

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 11 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-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
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 MAP2K1 46/4885POLB 1457/4885GAA 3756/4885

“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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