SCHEMBL201744

SCHEMBL201744

C=CC(=O)NC1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 1.00
EGFR P00533 8/20 1.00
LCK P06239 6/20 1.00
ITK Q08881 5/20 1.00
LYN P07948 4/20 1.00
TEC P42680 4/20 1.00
BMX P51813 4/20 1.00
ABL1 P00519 2/20 1.00
ERBB2 P04626 2/20 1.00
FYN P06241 2/20 1.00
YES1 P07947 2/20 1.00
HCK P08631 2/20 1.00
FGR P09769 2/20 1.00
SRC P12931 2/20 1.00
FER P16591 2/20 1.00
CSK P41240 2/20 1.00
BLK P51451 2/20 1.00
JAK3 P52333 2/20 1.00
PTK6 Q13882 2/20 1.00
ERBB4 Q15303 2/20 1.00

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
SCHEMBL460731 1.00 BTK (1.00) BTKEGFRLCKITKLYN
SCHEMBL793463 1.00 BTK (1.00) BTKEGFRLCKITKLYN
SCHEMBL201745 1.00 BTK (1.00) BTKEGFRLCKITKLYN
SCHEMBL18645941 0.92 BTK (0.86) BTKEGFRLCKITKLYN
SCHEMBL21884773 0.91 BTK (0.84) BTKEGFRLCKITKLYN
SCHEMBL410200 0.90 BTK (0.82) BTKEGFRLCKITKLYN
SCHEMBL15163865 0.90 BTK (0.82) BTKEGFRLCKITKLYN
SCHEMBL17065693 0.90 BTK (0.82) BTKEGFRLCKITKLYN
SCHEMBL13545383 0.88 BTK (0.78) BTKEGFRLCKITKLYN
SCHEMBL19590176 0.88 BTK (0.77) BTKEGFRLCKITKLYN

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 432 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-01-12 US claimed
US-20150152115-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-04 US claimed
US-8952015-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-02-10 US claimed
US-20140171453-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-06-19 US claimed
US-20140135347-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-05-15 US claimed
US-20130018060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US claimed
EP-2529622-A1 Inhibitors of bruton's tyrosine kinase Pharmacyclics, Inc. (US) 2012-12-05 EP claimed
US-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US claimed
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US claimed
US-20120277254-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US claimed
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 US claimed
EP-2201840-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2010-06-30 EP claimed
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-02-18 US claimed
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-28 US claimed
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 US claimed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US claimed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US claimed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US claimed
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told PHARMACYCLICS, INC. (US) 2008-05-08 US claimed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 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-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885
US-20140171453-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885
US-20120277254-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 728/4885LCK 2/4885
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
US-20150152115-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
US-20130018060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 697/4885LCK 23/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885
US-20140135347-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885LCK 2/4885
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told BTK, LCK, LYN BTK 1/4885EGFR 703/4885LCK 2/4885
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN BTK 1/4885EGFR 1536/4885LCK 2/4885
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents BTK, LCK, LYN BTK 1/4885EGFR 1550/4885LCK 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.