SCHEMBL201548

SCHEMBL201548

C=CC(=O)N1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 1.00
EGFR P00533 7/20 0.91
TEC P42680 3/20 0.91
BMX P51813 3/20 0.91
ITK Q08881 3/20 0.91
TXK P42681 2/20 0.91
LYN P07948 2/20 0.91
FGFR2 P21802 2/20 0.91
NUDT5 Q9UKK9 2/20 0.91
RIPK2 O43353 1/20 0.91
NR1I2 O75469 1/20 0.91
SLC22A3 O75751 1/20 0.91
LATS1 O95835 1/20 0.91
NUDT14 O95848 1/20 0.91
ABL1 P00519 1/20 0.91
ERBB2 P04626 1/20 0.91
LCK P06239 1/20 0.91
FYN P06241 1/20 0.91
PGR P06401 1/20 0.91
CSF1R P07333 1/20 0.91

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
SCHEMBL200392 1.00 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL200391 1.00 BTK (1.00) BTKEGFRTECBMXITK
Ibrutinib SCHEMBL201641 0.95 BTK (1.00) BTKEGFRTECBMXITK
Ibrutinib SCHEMBL2244870 0.95 BTK (1.00) BTKEGFRTECBMXITK
Ibrutinib SCHEMBL201859 0.95 BTK (1.00) BTKEGFRTECBMXITK
Ibrutinib SCHEMBL201642 0.95 BTK (1.00) BTKEGFRTECBMXITK
Ibrutinib SCHEMBL2244865 0.95 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL202187 0.95 BTK (1.00) BTKEGFRTECBMXITK
SCHEMBL21428758 0.94 BTK (0.95) BTKEGFRTECBMXITK
SCHEMBL18335275 0.93 BTK (0.86) BTKEGFRTECBMXITK

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 490 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-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
EP-2529622-A1 Inhibitors of bruton's tyrosine kinase Pharmacyclics, Inc. (US) 2012-12-05 EP claimed
US-20120277254-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US claimed
US-20120252822-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-10-04 US claimed
US-20120252821-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-10-04 US claimed
EP-2201840-B1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS INC (US) 2011-11-02 EP claimed
US-8008309-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2011-08-30 US claimed
US-20110039868-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-02-17 US 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
EP-2081435-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, Inc. (US) 2009-07-29 EP 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
WO-2008039218-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2008-04-03 WO 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 (13 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-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
US-20140171453-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
US-20120277254-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
US-20120252822-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
US-20120252821-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 728/4885TEC 19/4885
US-20110039868-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN BTK 1/4885EGFR 836/4885TEC 26/4885
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 703/4885TEC 20/4885
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 1536/4885TEC 32/4885
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 1550/4885TEC 33/4885

“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.