SCHEMBL16766384

SCHEMBL16766384

C=CC(=O)NC1CCCN(c2cccc(Nc3cc(Br)cn(C)c3=O)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.55
▸ FGFR4 P22455 1/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ EGFR P00533 2/20 0.40
▸ MAP4K1 Q92918 1/20 0.39
▸ JAK3 P52333 2/20 0.39

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
SCHEMBL16766381 1.00 BTK (0.55) BTKFGFR4KCNH2EGFRMAP4K1
SCHEMBL31158079 0.75 HTR3A (0.43) BTKKCNH2EGFRMAP4K1
SCHEMBL14913184 0.75 HTR3A (0.43) BTKKCNH2EGFRMAP4K1
SCHEMBL16765745 0.73 BTK (0.58) BTKFGFR4KCNH2JAK3
SCHEMBL16765744 0.73 BTK (0.58) BTKFGFR4KCNH2JAK3
SCHEMBL16765712 0.73 KIF18A (0.54) BTKFGFR4KCNH2JAK3
SCHEMBL16765711 0.73 KIF18A (0.54) BTKFGFR4KCNH2JAK3
SCHEMBL16765732 0.72 BTK (0.49) BTKFGFR4
SCHEMBL16798291 0.71 BTK (0.43) BTKFGFR4KCNH2JAK3
SCHEMBL16791403 0.69 BTK (0.52) BTKEGFR

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
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-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 BTK 1/4885FGFR4 1260/4885KCNH2 2816/4885

“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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