SCHEMBL29418516

SCHEMBL29418516

Cc1cc(-c2ccncc2N2CCOCC(N(C)C(=O)OC(C)(C)C)C2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.43
▸ PIK3CD O00329 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ CRBN Q96SW2 1/20 0.35
▸ RAF1 P04049 10/20 0.35
▸ BRAF P15056 10/20 0.35
▸ CYP46A1 Q9Y6A2 1/20 0.34
▸ KLKB1 P03952 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
SCHEMBL25216912 0.92 BTK (0.45) BTKSCN10ACRBNRAF1BRAF
SCHEMBL29418352 0.92 BTK (0.45) BTKPIK3CDCRBNKLKB1
SCHEMBL29418521 0.91 BTK (0.44) BTKPIK3CDCRBNKLKB1
SCHEMBL29418689 0.90 BTK (0.43) BTKSCN10ACRBNCYP46A1KLKB1
SCHEMBL25212027 0.90 BTK (0.43) BTKSCN10ACRBNCYP46A1KLKB1
SCHEMBL29418528 0.90 BTK (0.44) BTKPIK3CDCRBNKLKB1
SCHEMBL25214075 0.86 BTK (0.47) BTKSCN10ACRBNKLKB1
SCHEMBL29418589 0.86 BTK (0.47) BTKSCN10ACRBNKLKB1
SCHEMBL25262776 0.84 BTK (0.47) BTKPIK3CDCRBNKLKB1
SCHEMBL25248307 0.83 BTK (0.46) BTKCRBNKLKB1

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-20240327380-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2024-10-03 — — US disclosed
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — 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-20240327380-A1 BTK INHIBITORS BTK, SYK, LYN BTK 1/4885PIK3CD 80/4885SCN10A 1151/4885

“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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