SCHEMBL1614537

SCHEMBL1614537

CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.83
EGFR P00533 4/20 0.81
ITK Q08881 3/20 0.81
LCK P06239 2/20 0.81
TEC P42680 3/20 0.80
BMX P51813 3/20 0.80
TXK P42681 2/20 0.80
LYN P07948 2/20 0.80
FGFR2 P21802 2/20 0.80
FLT3 P36888 2/20 0.80
BLK P51451 2/20 0.80
RIPK2 O43353 1/20 0.80
NR1I2 O75469 1/20 0.80
SLC22A3 O75751 1/20 0.80
LATS1 O95835 1/20 0.80
NUDT14 O95848 1/20 0.80
ABL1 P00519 1/20 0.80
ERBB2 P04626 1/20 0.80
FYN P06241 1/20 0.80
PGR P06401 1/20 0.80

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
SCHEMBL1614535 1.00 BTK (0.83) BTKEGFRITKLCKTEC
SCHEMBL23226152 1.00 BTK (0.83) BTKEGFRITKLCKTEC
SCHEMBL19590157 0.95 BTK (0.80) BTKEGFRITKLCKTEC
SCHEMBL16931733 0.93 BTK (0.85) BTKEGFRITKLCKTEC
SCHEMBL18095743 0.93 BTK (0.85) BTKEGFRITKLCKTEC
SCHEMBL27210186 0.92 BTK (0.85) BTKEGFRITKLCKTEC
SCHEMBL27230444 0.92 BTK (0.85) BTKEGFRITKLCKTEC
SCHEMBL5801655 0.91 BTK (0.71) BTKEGFRITKLCKTEC
SCHEMBL15613464 0.91 BTK (0.73) BTKEGFRITKLCKTEC
SCHEMBL17951599 0.91 BTK (0.79) BTKEGFRITKLCKTEC

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021068380-A1 PREPARATION OF DEGRADATION COMPOUND TARGETING BTK PROTEIN, AND APPLICATION THEREOF IN TREATING AUTOIMMUNE DISEASES AND TUMORS 清华大学 2021-04-15 WO disclosed
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase CORVUS PHARMACEUTICALS, INC. (US) 2020-12-22 US disclosed
US-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE CORVUS BIOPHARMACEUTICALS, LTD. (KY) 2019-04-11 US disclosed
WO-2017134588-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2017-08-10 WO disclosed
WO-2016170545-A1 PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO disclosed
EP-2650294-B1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2016-07-20 EP disclosed
US-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 US disclosed
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 US disclosed
EP-2650294-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2013-10-16 EP disclosed
EP-2393816-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, Inc. (US) 2011-12-14 EP disclosed
WO-2011046964-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-21 WO disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 US disclosed
WO-2010009342-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2010-01-21 WO disclosed
WO-2008121742-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2008-10-09 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 (4 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-20190106423-A1 COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE ABL1, BTK, LYN BTK 2/4885EGFR 711/4885ITK 607/4885
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 947/4885ITK 390/4885
US-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885EGFR 947/4885ITK 390/4885
US-10870652-B2 Compounds and methods for modulating bruton's tyrosine kinase ABL1, BTK, LYN BTK 2/4885EGFR 711/4885ITK 607/4885

“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.