SCHEMBL16790973

SCHEMBL16790973

CCCOc1cccc(Nc2cc(Br)cn(C)c2=O)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ BTK Q06187 9/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ GRM5 P41594 3/20 0.34
▸ EGFR P00533 1/20 0.34
▸ TRIM24 O15164 1/20 0.33
▸ HTR7 P34969 1/20 0.32

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
SCHEMBL16790985 0.94 BTK (0.35) BRD4BTKMAPK8GRM5EGFR
SCHEMBL107748 0.91 MAPK8 (0.45) BTKMAPK8GRM5
SCHEMBL16766621 0.90 BTK (0.37) BTKMAPK8HTR7
Hydrochloric Acid SCHEMBL16766354 0.89 BTK (0.36) BTKMAPK8HTR7
SCHEMBL16802706 0.89 BTK (0.38) BTKMAPK8CHRNB2CHRNA4HTR7
Hydrochloric Acid SCHEMBL16765882 0.88 BTK (0.37) BTKMAPK8CHRNB2CHRNA4HTR7
SCHEMBL16791398 0.88 BTK (0.37) BTKMAPK8HTR7
SCHEMBL16766386 0.86 BTK (0.41) BTKMAPK8EGFR
SCHEMBL16790980 0.86 BTK (0.41) BTKMAPK8TRIM24
SCHEMBL16798105 0.84 BTK (0.36) BTKMAPK8

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 2 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

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 BRD4 292/4885BTK 1/4885MAPK8 754/4885

“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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