SCHEMBL16144739

SCHEMBL16144739

C=CC(=O)Nc1cccc(-c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc2Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.80
EGFR P00533 6/20 0.62
JAK3 P52333 4/20 0.60
JAK2 O60674 3/20 0.59
LRRK2 Q5S007 1/20 0.59
SRC P12931 1/20 0.59
BLK P51451 1/20 0.59
ITK Q08881 1/20 0.59
JAK1 P23458 2/20 0.58
TTK P33981 1/20 0.58
TYK2 P29597 1/20 0.57
CDK7 P50613 1/20 0.57
CCNH P51946 1/20 0.57

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
SCHEMBL16449887 0.93 BTK (0.70) BTKEGFRJAK3JAK2LRRK2
SCHEMBL12813134 0.89 BTK (1.00) BTKEGFRJAK3JAK2BLK
SCHEMBL19961250 0.88 BTK (0.62) BTKEGFRJAK3JAK2LRRK2
SCHEMBL21648593 0.87 BTK (0.62) BTKEGFRJAK3JAK2LRRK2
SCHEMBL17071433 0.85 BTK (0.85) BTKEGFRJAK3JAK2JAK1
SCHEMBL15640174 0.85 BTK (0.89) BTKEGFRJAK3JAK2BLK
SCHEMBL17071407 0.84 BTK (0.88) BTKEGFRJAK3JAK2JAK1
SCHEMBL15638700 0.84 BTK (1.00) BTKEGFRJAK3JAK2JAK1
SCHEMBL16144740 0.83 BTK (0.81) BTKEGFRJAK3JAK2LRRK2
SCHEMBL15637442 0.83 BTK (0.79) BTKEGFRJAK3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4115886-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE Pharmacyclics LLC (US) 2023-01-11 EP disclosed
US-11318138-B2 Methods for treating B cell proliferative disorders CORNELL UNIVERSITY (US) 2022-05-03 US disclosed
US-20210177854-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE PHARMACYCLICS LLC 2021-06-17 US disclosed
US-20210145835-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER PHARMACYCLICS, INC. 2021-05-20 US disclosed
US-20210121463-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE PHARMACYCLICS LLC (US) 2021-04-29 US disclosed
US-20200397895-A1 TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY PHARMACYCLICS LLC (US) 2020-12-24 US disclosed
US-20200368235-A1 IBRUTINIB COMBINATION THERAPY PHARMACYCLICS LLC (US) 2020-11-26 US disclosed
US-10695350-B2 Methods of treating and preventing graft versus host disease PHARMACYCLICS LLC (US) 2020-06-30 US disclosed
US-20200061066-A1 METHODS FOR TREATING B CELL PROLIFERATIVE DISORDERS CORNELL UNIVERSITY 2020-02-27 US disclosed
US-10314842-B2 Methods for treating B cell proliferative disorders CORNELL UNIVERSITY (US) 2019-06-11 US disclosed
US-20150157634-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE PHARMACYCLICS LLC 2015-06-11 US disclosed
WO-2015061751-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE PHARMACYCLICS, INC. (US) 2015-04-30 WO disclosed
WO-2015061752-A1 TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY PHARMACYCLICS, INC. (US) 2015-04-30 WO disclosed
WO-2015023703-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER PHARMACYCLICS, INC. (US) 2015-02-19 WO disclosed
US-20150038518-A1 METHODS FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2015-02-05 US disclosed
WO-2015017812-A1 METHODS FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2015-02-05 WO disclosed
US-20150038518-A1 METHODS FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2015-02-05 US disclosed
WO-2015002894-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2015-01-08 WO disclosed
WO-2014168975-A1 IBRUTINIB COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2014-10-16 WO disclosed
WO-2014159745-A1 COMBINATIONS OF BRUTON'S TYROSINE KINASE INHIBITORS AND CYP3A4 INHIBITORS PHARMACYCLICS, INC. (US) 2014-10-02 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 (11 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-20210121463-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE BLK, DCK, CILK1 BTK 8/4885EGFR 2307/4885JAK3 329/4885
US-20150157634-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE FCGR3B, BTK, IGLV6-57 BTK 2/4885EGFR 1605/4885JAK3 202/4885
US-20150038518-A1 METHODS FOR THE TREATMENT OF SOLID TUMORS HDAC1, HDAC4, HDAC2 BTK 1268/4885EGFR 1866/4885JAK3 1100/4885
US-11318138-B2 Methods for treating B cell proliferative disorders CDK4, BCL6, BCL6B BTK 4/4885EGFR 1336/4885JAK3 87/4885
US-10695350-B2 Methods of treating and preventing graft versus host disease BLK, DCK, CILK1 BTK 8/4885EGFR 2307/4885JAK3 329/4885
US-20210145835-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER ERBB2, EGFR, ERBB3 BTK 10/4885EGFR 2/4885JAK3 205/4885
US-10314842-B2 Methods for treating B cell proliferative disorders CDK4, BCL6, BCL6B BTK 4/4885EGFR 1336/4885JAK3 87/4885
US-20210177854-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE FCGR3B, BTK, IGLV6-57 BTK 2/4885EGFR 1605/4885JAK3 202/4885
US-20200061066-A1 METHODS FOR TREATING B CELL PROLIFERATIVE DISORDERS CDK4, BCL6, BCL6B BTK 4/4885EGFR 1336/4885JAK3 87/4885
US-20200397895-A1 TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY BTK, LCK, LYN BTK 1/4885EGFR 544/4885JAK3 29/4885
US-20200368235-A1 IBRUTINIB COMBINATION THERAPY BTK, SYK, LYN BTK 1/4885EGFR 679/4885JAK3 13/4885

“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.