SCHEMBL16788366

SCHEMBL16788366

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

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.86
ERBB2 P04626 11/20 0.48
EGFR P00533 6/20 0.48

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
SCHEMBL19986670 1.00 BTK (0.86) BTKERBB2EGFR
SCHEMBL16440887 0.97 BTK (0.80) BTKERBB2EGFR
SCHEMBL166896 0.93 BTK (1.00) BTKERBB2EGFR
SCHEMBL19993798 0.93 BTK (1.00) BTKERBB2EGFR
SCHEMBL19728633 0.84 BTK (0.62) BTKERBB2EGFR
SCHEMBL122280 0.84 BTK (1.00) BTKEGFR
SCHEMBL18905245 0.84 BTK (0.61) BTKERBB2EGFR
SCHEMBL169757 0.84 BTK (0.85) BTKERBB2EGFR
SCHEMBL124181 0.83 BTK (0.82) BTKERBB2EGFR
SCHEMBL174843 0.82 BTK (0.80) BTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10016434-B2 Methods for the treatment of HER2 amplified cancer PHARMACYCLICS LLC (US) 2018-07-10 US disclosed
US-9844552-B2 Methods of treating fibrosis PHARMACYCLICS LLC (US) 2017-12-19 US disclosed
US-9724349-B2 Methods for the treatment of HER2 amplified cancer PHARMACYCLICS LLC (US) 2017-08-08 US disclosed
US-20170027941-A1 Bruton's Tyrosine Kinase Inhibitor Combinations and Uses Thereof PHARMACYCLICS LLC 2017-02-02 US disclosed
US-9545407-B2 Formulations of a bruton's tyrosine kinase inhibitor PHARMACYCLICS LLC (US) 2017-01-17 US disclosed
US-20160287592-A1 IBRUTINIB COMBINATION THERAPY PHARMACYCLICS, INC. 2016-10-06 US disclosed
US-20160199376-A1 METHODS OF TREATING FIBROSIS PHARMACYCLICS LLC 2016-07-14 US disclosed
US-20160038496-A1 NOVEL FORMULATIONS OF A BRUTON'S TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC 2016-02-11 US disclosed
US-20160022683-A1 COMBINATIONS OF BRUTON'S TYROSINE KINASE INHIBITORS AND CYP3A4 INHIBITORS PHARMACYCLICS, INC. 2016-01-28 US disclosed
US-20160008366-A1 BTK INHIBITORS FOR THE TREATMENT OF CNS MALIGNANCIES PHARMACYCLICS LLC 2016-01-14 US disclosed
US-20150157634-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE PHARMACYCLICS LLC 2015-06-11 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 (8 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-20160008366-A1 BTK INHIBITORS FOR THE TREATMENT OF CNS MALIGNANCIES BTK, SYK, ABL1 BTK 1/4885ERBB2 56/4885EGFR 202/4885
US-20150157634-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-20160038496-A1 NOVEL FORMULATIONS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, LYN, SYK BTK 1/4885ERBB2 53/4885EGFR 870/4885
US-20170027941-A1 Bruton's Tyrosine Kinase Inhibitor Combinations and Uses Thereof BTK, ERBB2, ERBB3 BTK 1/4885ERBB2 2/4885EGFR 12/4885
US-20160199376-A1 METHODS OF TREATING FIBROSIS MYLK, MMP1, MMP8 BTK 18/4885ERBB2 1427/4885EGFR 1613/4885
US-10016434-B2 Methods for the treatment of HER2 amplified cancer ERBB2, EGFR, ERBB3 BTK 10/4885ERBB2 1/4885EGFR 2/4885
US-20160287592-A1 IBRUTINIB COMBINATION THERAPY BTK, SYK, LYN BTK 1/4885ERBB2 51/4885EGFR 679/4885
US-20160022683-A1 COMBINATIONS OF BRUTON'S TYROSINE KINASE INHIBITORS AND CYP3A4 INHIBITORS BTK, CYP2E1, CYP3A43 BTK 1/4885ERBB2 113/4885EGFR 1334/4885

“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.