SCHEMBL1628867

SCHEMBL1628867

C=CC(=O)N1CCC[C@H](C(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.41
JAK1 P23458 1/20 0.40
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
TEAD1 P28347 2/20 0.39
BTK Q06187 3/20 0.38

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
SCHEMBL1628865 1.00 JAK3 (0.41) JAK3JAK1EGFRITKTEAD1
SCHEMBL410336 1.00 JAK3 (0.41) JAK3JAK1EGFRITKTEAD1
SCHEMBL19229729 0.95 JAK3 (0.38) JAK3JAK1EGFRITKTEAD1
SCHEMBL19229728 0.95 JAK3 (0.38) JAK3JAK1EGFRITKTEAD1
SCHEMBL19229727 0.95 JAK3 (0.38) JAK3JAK1EGFRITKTEAD1
SCHEMBL14479237 0.90 TEAD1 (0.40) JAK3TEAD1BTK
SCHEMBL1630022 0.90 TEAD1 (0.40) JAK3TEAD1BTK
SCHEMBL1629421 0.90 TEAD1 (0.40) JAK3TEAD1BTK
SCHEMBL24021438 0.87 JAK3 (0.42) JAK3JAK1EGFRITKBTK
SCHEMBL22039263 0.87 JAK3 (0.42) JAK3JAK1EGFRITKTEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008424-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2022-01-13 US disclosed
WO-2021252339-A1 SUBSTITUTED PURINE-2,6-DIONE COMPOUNDS AS KRAS INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-12-16 WO disclosed
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 US disclosed
US-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-05-28 US disclosed
US-20180085372-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2018-03-29 US disclosed
US-20180085372-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2018-03-29 US disclosed
EP-2529622-B1 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-17 EP disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 US disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 US disclosed
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2017-01-12 US disclosed
US-7825118-B2 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) 2010-11-02 US disclosed
US-7732454-B2 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) 2010-06-08 US disclosed
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-02-18 US disclosed
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-28 US disclosed
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 US disclosed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US disclosed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US disclosed
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 disclosed
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 disclosed
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 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 (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-20200165267-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, MCL1 JAK3 135/4885JAK1 93/4885EGFR 712/4885
US-20220008424-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885JAK1 42/4885EGFR 836/4885
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 JAK3 182/4885JAK1 117/4885EGFR 741/4885
US-20100022561-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885JAK1 42/4885EGFR 836/4885
US-20170007611-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885JAK1 42/4885EGFR 836/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885JAK1 42/4885EGFR 836/4885
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885JAK1 42/4885EGFR 836/4885
US-10844077-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, MCL1 JAK3 135/4885JAK1 93/4885EGFR 712/4885
US-20180085372-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN JAK3 72/4885JAK1 42/4885EGFR 836/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN JAK3 73/4885JAK1 45/4885EGFR 728/4885
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 JAK3 114/4885JAK1 70/4885EGFR 703/4885
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 JAK3 34/4885JAK1 23/4885EGFR 1536/4885
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 JAK3 30/4885JAK1 21/4885EGFR 1550/4885

“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.