SCHEMBL16766386

SCHEMBL16766386

CCC(=O)NCCOc1cccc(Nc2cc(Br)cn(C)c2=O)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.41
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MKNK1 Q9BUB5 2/20 0.35
▸ MKNK2 Q9HBH9 2/20 0.35
▸ SYK P43405 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL16791403 0.87 BTK (0.52) BTKEGFRKDR
SCHEMBL16765813 0.86 BTK (0.43) BTKEGFRKDR
SCHEMBL16766240 0.86 BTK (0.53) BTKMAPK8EGFRMKNK1MKNK2
SCHEMBL16802706 0.86 BTK (0.38) BTKMAPK8MKNK1MKNK2SYK
SCHEMBL16790973 0.86 BRD4 (0.37) BTKMAPK8EGFR
Hydrochloric Acid SCHEMBL16765882 0.85 BTK (0.37) BTKMAPK8MKNK1MKNK2SYK
SCHEMBL16791398 0.85 BTK (0.37) BTKMAPK8MKNK1MKNK2SYK
SCHEMBL16790985 0.85 BTK (0.35) BTKMAPK8EGFR
SCHEMBL16766383 0.85 BTK (0.54) BTKMAPK8ALDH1A1MKNK1MKNK2
SCHEMBL107748 0.84 MAPK8 (0.45) 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 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 1/4885MTNR1A 3577/4885MTNR1B 3009/4885

“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.

Send feedback