SCHEMBL16790985

SCHEMBL16790985

CCCCOc1cccc(Nc2cc(Br)cn(C)c2=O)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.35
▸ MAPK8 P45983 3/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CREBBP Q92793 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GRM5 P41594 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
SCHEMBL16790973 0.94 BRD4 (0.37) BTKMAPK8EGFRTRIM24BRD4
SCHEMBL107748 0.90 MAPK8 (0.45) BTKMAPK8GRM5
SCHEMBL16766621 0.89 BTK (0.37) BTKMAPK8
Hydrochloric Acid SCHEMBL16766354 0.88 BTK (0.36) BTKMAPK8
SCHEMBL16802706 0.88 BTK (0.38) BTKMAPK8
Hydrochloric Acid SCHEMBL16765882 0.87 BTK (0.37) BTKMAPK8
SCHEMBL16791398 0.87 BTK (0.37) BTKMAPK8
SCHEMBL16766386 0.85 BTK (0.41) BTKMAPK8EGFR
SCHEMBL16790980 0.85 BTK (0.41) BTKMAPK8TRIM24
SCHEMBL16798105 0.83 BTK (0.36) BTKMAPK8LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MAPK8 754/4885EGFR 563/4885

“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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