SCHEMBL18183922

SCHEMBL18183922

CC(C)(C)OC1CN(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C(F)(F)F)C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.54
▸ EPHX2 P34913 4/20 0.40
▸ P2RX7 Q99572 8/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.36

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
SCHEMBL16794015 0.81 BTK (0.60) BTKEPHX2P2RX7
SCHEMBL16794372 0.80 PRMT5 (0.56) EPHX2ROCK1PRMT5WDR77
SCHEMBL22659448 0.78 EPHX2 (0.42) EPHX2P2RX7ROCK1PRMT5WDR77
SCHEMBL16793852 0.75 BTK (0.47) BTKEPHX2ROCK1PRMT5WDR77
SCHEMBL28125942 0.75 BTK (0.54) BTKEPHX2P2RX7
SCHEMBL17645747 0.74 EPHX2 (0.51) BTKEPHX2
SCHEMBL20027005 0.73 BTK (0.41) BTKEPHX2ROCK1PRMT5WDR77
SCHEMBL29925576 0.72 EPHX2 (0.40) EPHX2ROCK1PRMT5WDR77
SCHEMBL16793886 0.72 BTK (0.66) BTKEPHX2P2RX7
SCHEMBL15897796 0.72 ROCK1 (0.43) EPHX2ROCK1PRMT5WDR77

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
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 — — US disclosed
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase BIOGEN MA INC. (US) 2020-09-01 — — US disclosed
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2019-07-18 — — US disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 — — EP disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 — — US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 — — US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 — — 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 (5 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN BTK 2/4885EPHX2 1900/4885P2RX7 4019/4885
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase ABL1, BTK, LYN BTK 2/4885EPHX2 1900/4885P2RX7 4019/4885
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN BTK 2/4885EPHX2 1900/4885P2RX7 4019/4885
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN BTK 2/4885EPHX2 1900/4885P2RX7 4019/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN BTK 2/4885EPHX2 1900/4885P2RX7 4019/4885

“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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