SCHEMBL16794005

SCHEMBL16794005

Cc1cc(-c2ccnc(N)c2)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.48
▸ BTK Q06187 3/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ PDPK1 O15530 1/20 0.39
▸ CIT O14578 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL29676504 1.00 AAK1 (0.48) AAK1BTKMKNK1MKNK2ROCK2
SCHEMBL22664870 0.85 AAK1 (0.42) AAK1BTKMKNK2ROCK2HDAC1
SCHEMBL16794245 0.84 BTK (0.62) AAK1BTKPDPK1MAP4K4
SCHEMBL16794160 0.84 MKNK1 (0.48) BTKMKNK1MKNK2ROCK2CIT
SCHEMBL17681842 0.84 BTK (0.42) AAK1BTKMAP4K4
SCHEMBL16793748 0.84 BTK (0.63) AAK1BTKROCK2
SCHEMBL29533531 0.81 GSK3B (0.48) —
SCHEMBL22660077 0.81 GSK3B (0.48) —
SCHEMBL20328422 0.81 AAK1 (0.59) AAK1BTK
SCHEMBL16794118 0.79 AAK1 (0.54) AAK1BTK

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 26 patents — showing the first 20. 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 — — US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 — — US disclosed
CN-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 — — CN disclosed
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase BIOGEN MA INC. (US) 2020-09-01 — — 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
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2019-07-18 — — US disclosed
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase BIOGEN MA INC. (US) 2018-09-25 — — US disclosed
EP-3080103-B9 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-09-19 — — 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-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 — — 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
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 — — US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 — — US disclosed
EP-3080103-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 — — EP disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 — — WO disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 — — 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 (7 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 AAK1 455/4885BTK 2/4885MKNK1 322/4885
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase ABL1, BTK, LYN AAK1 455/4885BTK 2/4885MKNK1 322/4885
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase ABL1, BTK, LYN AAK1 455/4885BTK 2/4885MKNK1 322/4885
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN AAK1 455/4885BTK 2/4885MKNK1 322/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN AAK1 455/4885BTK 2/4885MKNK1 322/4885
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN AAK1 455/4885BTK 2/4885MKNK1 322/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN AAK1 455/4885BTK 2/4885MKNK1 322/4885

“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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