SCHEMBL16440887

SCHEMBL16440887

C=CC(=O)N1CCCC(c2c(Cl)c(-c3ccc(Oc4ccc(C)c(Cl)c4)c(C)c3)c3c(N)ncnn23)C1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.80
ERBB2 P04626 12/20 0.49
EGFR P00533 8/20 0.49
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
BLK P51451 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL16788366 0.97 BTK (0.86) BTKERBB2EGFR
SCHEMBL19986670 0.97 BTK (0.86) BTKERBB2EGFR
SCHEMBL19993798 0.89 BTK (1.00) BTKERBB2EGFRITK
SCHEMBL166896 0.89 BTK (1.00) BTKERBB2EGFRITK
SCHEMBL19728633 0.88 BTK (0.62) BTKERBB2EGFR
SCHEMBL18905245 0.87 BTK (0.61) BTKERBB2EGFR
SCHEMBL122280 0.84 BTK (1.00) BTKEGFRITK
SCHEMBL169757 0.84 BTK (0.85) BTKERBB2EGFRHCKSRC
SCHEMBL122566 0.81 BTK (0.94) BTKEGFRITK
SCHEMBL124181 0.80 BTK (0.82) BTKERBB2EGFRITK

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-20180153896-A1 METHODS OF TREATING FIBROSIS PHARMACYCLICS LLC 2018-06-07 US disclosed
US-20180078558-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE PHARMACYCLICS, INC. 2018-03-22 US disclosed
US-20180071294-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER PHARMACYCLICS LLC 2018-03-15 US disclosed
US-20180071295-A1 BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS AND USES THEREOF PHARMACYCLICS LLC 2018-03-15 US disclosed
US-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC (US) 2018-02-08 US disclosed
US-20180028537-A1 Novel Formulations of a Bruton's Tyrosine Kinase Inhibitor PHARMACYCLICS LLC 2018-02-01 US disclosed
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC 2017-12-14 US disclosed
US-9795604-B2 Methods of treating and preventing graft versus host disease PHARMACYCLICS LLC (US) 2017-10-24 US disclosed
US-9730938-B2 Bruton's tyrosine kinase inhibitor combinations and uses thereof PHARMACYCLICS LLC (US) 2017-08-15 US disclosed
US-20170209462-A1 BTK INHIBITOR COMBINATIONS FOR TREATING MULTIPLE MYELOMA PHARMACYCLICS LLC 2017-07-27 US disclosed
US-20160038495-A1 BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS AND USES THEREOF PHARMACYCLICS LLC 2016-02-11 US disclosed
US-20160032404-A1 BIOMARKERS FOR PREDICTING RESPONSE OF DLBCL TO TREATMENT WITH A BTK INHIBITOR PHARMACYCLICS LLC 2016-02-04 US disclosed
US-20160022684-A1 BET INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS PHARMACYCLICS LLC 2016-01-28 US disclosed
US-20150361504-A1 BIOMARKER FOR PREDICTING RESPONSE OF CLL TO TREATMENT WITH A BTK INHIBITOR PHARMACYCLICS LLC 2015-12-17 US disclosed
US-20150352116-A1 HDAC INHIBITOR AND BTK INHIBITOR COMBINATIONS PHARMACYCLICS LLC 2015-12-10 US disclosed
US-20150238490-A1 BIOMARKERS FOR PREDICTING RESPONSE OF DLBCL TO TREATMENT WITH IBRUTINIB PHARMACYCLICS LLC 2015-08-27 US disclosed
US-20150118222-A1 TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY PHARMACYCLICS LLC 2015-04-30 US disclosed
US-20150118209-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-30 US disclosed
US-20150044217-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER PHARMACYCLICS LLC 2015-02-12 US disclosed
US-20150038518-A1 METHODS FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2015-02-05 US 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 (17 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-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 BTK 1/4885ERBB2 101/4885EGFR 1723/4885
US-20180153896-A1 METHODS OF TREATING FIBROSIS MYLK, MMP1, MMP8 BTK 18/4885ERBB2 1427/4885EGFR 1613/4885
US-20150118222-A1 TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY BTK, LCK, LYN BTK 1/4885ERBB2 47/4885EGFR 544/4885
US-20150352116-A1 HDAC INHIBITOR AND BTK INHIBITOR COMBINATIONS HDAC1, HDAC2, BTK BTK 3/4885ERBB2 823/4885EGFR 2538/4885
US-20150038518-A1 METHODS FOR THE TREATMENT OF SOLID TUMORS HDAC1, HDAC4, HDAC2 BTK 1268/4885ERBB2 1181/4885EGFR 1866/4885
US-20180078558-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE FCGR3B, BTK, IGLV6-57 BTK 2/4885ERBB2 1670/4885EGFR 1605/4885
US-20180071294-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER ERBB2, EGFR, ERBB3 BTK 10/4885ERBB2 1/4885EGFR 2/4885
US-20150118209-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE BLK, DCK, CILK1 BTK 8/4885ERBB2 1467/4885EGFR 2307/4885
US-20180071295-A1 BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS AND USES THEREOF BTK, LYN, PIM1 BTK 1/4885ERBB2 104/4885EGFR 611/4885
US-20170354655-A1 TLR INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS BTK, TLR3, TLR9 BTK 1/4885ERBB2 74/4885EGFR 366/4885
US-20150044217-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER ERBB2, EGFR, ERBB3 BTK 10/4885ERBB2 1/4885EGFR 2/4885
US-20160022684-A1 BET INHIBITOR AND BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS BTK, MYC, BCL6B BTK 1/4885ERBB2 112/4885EGFR 636/4885
US-20170209462-A1 BTK INHIBITOR COMBINATIONS FOR TREATING MULTIPLE MYELOMA BTK, SYK, BCL6B BTK 1/4885ERBB2 401/4885EGFR 871/4885
US-20160038495-A1 BRUTON'S TYROSINE KINASE INHIBITOR COMBINATIONS AND USES THEREOF BTK, LYN, PIM1 BTK 1/4885ERBB2 104/4885EGFR 611/4885
US-20180028537-A1 Novel Formulations of a Bruton's Tyrosine Kinase Inhibitor BTK, LYN, SYK BTK 1/4885ERBB2 53/4885EGFR 870/4885
US-20150238490-A1 BIOMARKERS FOR PREDICTING RESPONSE OF DLBCL TO TREATMENT WITH IBRUTINIB BCL3, BCL6B, BCL6 BTK 4/4885ERBB2 961/4885EGFR 1648/4885
US-20150361504-A1 BIOMARKER FOR PREDICTING RESPONSE OF CLL TO TREATMENT WITH A BTK INHIBITOR BTK, BCL6B, LYN BTK 1/4885ERBB2 58/4885EGFR 433/4885

“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.