SCHEMBL29741963

SCHEMBL29741963

CN1CCN(c2ccc(Nc3cc(B4OC(C)(C)C(C)(C)O4)cn(C)c3=O)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.47
▸ YES1 P07947 1/20 0.42
▸ FGR P09769 1/20 0.42
▸ TEC P42680 1/20 0.42
▸ BMX P51813 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SLK Q9H2G2 1/20 0.42
▸ MAP4K1 Q92918 2/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ WEE1 P30291 1/20 0.42

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
SCHEMBL1725566 1.00 BTK (0.47) BTKYES1FGRTECBMX
SCHEMBL1727460 0.91 BTK (0.44) BTKKCNH2MAP4K1
SCHEMBL1393209 0.91 BTK (0.47) BTK
SCHEMBL14911790 0.88 BTK (0.50) BTK
SCHEMBL31158062 0.88 BTK (0.50) BTK
SCHEMBL1727627 0.83 BTK (0.47) BTK
SCHEMBL10256147 0.82 BTK (0.43) BTKMAP4K1FLT3WEE1
SCHEMBL14913211 0.82 BTK (0.39) BTKYES1FGRTECBMX
SCHEMBL29741894 0.82 BTK (0.39) BTKYES1FGRTECBMX
SCHEMBL708026 0.80 BTK (0.52) BTKKCNH2MAP4K1FLT3WEE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 — — US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 — — US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 — — EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 — — EP 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 (2 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885YES1 388/4885FGR 697/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BTK 2/4885YES1 388/4885FGR 697/4885

“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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