SCHEMBL16794380

SCHEMBL16794380

Cc1cc(-c2cc(Nc3ccc(N4CCN(C)CC4)cn3)ncn2)ccc1CNC(=O)N1CC(OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 2/20 0.51
▸ TBK1 Q9UHD2 2/20 0.51
▸ BTK Q06187 10/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CD69 Q07108 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ MAP3K19 Q56UN5 1/20 0.44
▸ CDKL2 Q92772 1/20 0.44
▸ RIOK1 Q9BRS2 1/20 0.44
▸ RIOK2 Q9BVS4 1/20 0.44
▸ BMP2K Q9NSY1 1/20 0.44
▸ WNT3A P56704 2/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ CDK2 P24941 3/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK9 P50750 1/20 0.38

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
SCHEMBL16794044 0.87 IKBKE (0.49) IKBKETBK1BTKAAK1WNT3A
SCHEMBL16794403 0.83 BTK (0.42) IKBKETBK1BTKJAK2CYP3A4
SCHEMBL29676766 0.81 IKBKE (0.48) IKBKETBK1BTKWNT3ACDK2
SCHEMBL16794039 0.80 BTK (0.45) IKBKETBK1BTKWNT3ACDK2
SCHEMBL29676713 0.80 IKBKE (0.47) IKBKETBK1BTKWNT3AJAK3
SCHEMBL16794467 0.80 IKBKE (0.44) IKBKETBK1BTKWNT3ACDK2
SCHEMBL16794198 0.80 BTK (0.65) IKBKETBK1BTKWNT3ACDK2
SCHEMBL16794368 0.80 BTK (0.41) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20445711 0.80 IKBKE (0.48) IKBKETBK1BTKJAK2CYP3A4
SCHEMBL16793880 0.79 BTK (0.41) IKBKETBK1BTKJAK2CYP3A4

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 13 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-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 — — 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-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
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 — — EP 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
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

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 IKBKE 351/4885TBK1 266/4885BTK 2/4885
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase ABL1, BTK, LYN IKBKE 351/4885TBK1 266/4885BTK 2/4885
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase ABL1, BTK, LYN IKBKE 351/4885TBK1 266/4885BTK 2/4885
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN IKBKE 351/4885TBK1 266/4885BTK 2/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN IKBKE 351/4885TBK1 266/4885BTK 2/4885
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN IKBKE 351/4885TBK1 266/4885BTK 2/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN IKBKE 351/4885TBK1 266/4885BTK 2/4885

“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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