SCHEMBL408518

SCHEMBL408518

CC(C)[C@@H]1CCCN(C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KAT2B Q92831 1/20 0.36
KDM2B Q8NHM5 1/20 0.33

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
SCHEMBL408514 1.00 DRD2 (0.36) DRD2DRD3KAT2BKDM2B
SCHEMBL17189766 1.00 DRD2 (0.36) DRD2DRD3KAT2BKDM2B
SCHEMBL840274 0.93 KAT2B (0.33) DRD2DRD3KAT2B
SCHEMBL14199815 0.86
SCHEMBL408517 0.86
SCHEMBL14769610 0.86
SCHEMBL840364 0.86 HRH3 (0.34) DRD2DRD3KAT2B
SCHEMBL20243619 0.84 KAT2B (0.30) DRD2DRD3KAT2B
SCHEMBL29323288 0.83 OPRM1 (0.31)
SCHEMBL23103570 0.83 DRD2 (0.35) DRD2DRD3KAT2BKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240241099-A1 METHOD FOR IDENTIFYING PI3 KINASE-ALPHA INHIBITORS UNIVERSITÄT BASEL (CH) 2024-07-18 US disclosed
US-20240065971-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2024-02-29 US disclosed
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 US disclosed
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 US disclosed
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-08-10 US disclosed
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-08-10 US disclosed
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 US disclosed
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) PHARMACYCLICS LLC (US) 2023-06-13 US disclosed
US-11530222-B2 Substituted pyrrolopyrimidine and pyrazolopyrimidine as Bruton's tyrosine kinase (BTK) degraders ACCUTAR BIOTECHNOLOGY INC. (US) 2022-12-20 US disclosed
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2022-07-07 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-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-01-07 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
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-11530222-B2 Substituted pyrrolopyrimidine and pyrazolopyrimidine as Bruton's tyrosine kinase (BTK) degraders BTK, LYN, SYK DRD2 4734/4885DRD3 4805/4885KAT2B 2764/4885
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 DRD2 4844/4885DRD3 4800/4885KAT2B 1369/4885
US-20100004270-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN DRD2 4218/4885DRD3 4224/4885KAT2B 1207/4885
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN DRD2 4218/4885DRD3 4224/4885KAT2B 1207/4885
US-20240065971-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTONS TYROSINE KINASE BTK, BCL6, BCL6B DRD2 4265/4885DRD3 4022/4885KAT2B 384/4885
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MYB, MYBBP1A, MYCBP DRD2 4597/4885DRD3 4620/4885KAT2B 503/4885
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 DRD2 4472/4885DRD3 4746/4885KAT2B 1996/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN DRD2 4138/4885DRD3 4064/4885KAT2B 1441/4885
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, LYN, SYK DRD2 4349/4885DRD3 4258/4885KAT2B 1657/4885
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) BTK, LYN, SYK DRD2 4349/4885DRD3 4258/4885KAT2B 1657/4885
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 DRD2 3542/4885DRD3 3553/4885KAT2B 1022/4885
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 DRD2 2467/4885DRD3 2179/4885KAT2B 2187/4885
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 DRD2 2562/4885DRD3 2240/4885KAT2B 2107/4885

“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.