SCHEMBL6887172

SCHEMBL6887172

COC(=O)C(C)(C)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38
VCAM1 P19320 1/20 0.38
AR P10275 2/20 0.38
S100A4 P26447 1/20 0.38
TRPV1 Q8NER1 1/20 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
SCHEMBL30484019 1.00 NPSR1 (0.50) NPSR1POLBTDP1ABCB1ABCC1
SCHEMBL12713563 0.89 NPSR1 (0.65) NPSR1POLBTDP1ABCB1ABCC1
SCHEMBL30404195 0.89 NPSR1 (0.65) NPSR1POLBTDP1ABCB1ABCC1
SCHEMBL10081960 0.85 THRB (0.44) NPSR1POLBTDP1PKMGAA
SCHEMBL3592382 0.84 TDP1 (0.63) NPSR1POLBTDP1PKMGAA
SCHEMBL10082927 0.84 S100A4 (0.40) NPSR1ABCB1ABCC1PKMKDM4E
SCHEMBL1970679 0.83 NPSR1 (0.50) NPSR1POLBTDP1GAACYP2C19
SCHEMBL13732238 0.83 NPSR1 (0.51) NPSR1POLBTDP1ABCB1ABCC1
SCHEMBL6882245 0.82 NPSR1 (0.49) NPSR1POLBTDP1GAACYP2C19
SCHEMBL6072565 0.80 VCAM1 (0.48) NPSR1POLBTDP1GAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240366770-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE SWITZERLAND GMBH (CH) 2024-11-07 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 US disclosed
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-10 US disclosed
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-10 US disclosed
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-10 US disclosed
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
CN-116323580-A Conjugated degradation (EGFR) of EGFR inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-06-23 CN disclosed
WO-2022012622-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 US disclosed
EP-2822948-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2015-01-14 EP disclosed
EP-2817310-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4]TRIAZOLO [1, 5 -A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS Merck Patent GmbH (DE) 2014-12-31 EP disclosed
WO-2013131609-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-09-12 WO disclosed
WO-2013131609-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-09-12 WO disclosed
WO-2013124026-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
WO-2013124026-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed
US-20040146941-A1 Chemical encoding technology for combinatorial synthesis MASSACHUSETTS, UNIVERSITY OF 2004-07-29 US disclosed
WO-2004041752-A2 CHEMICAL ENCODING TECHNOLOGY FOR COMBINATORIAL SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2004-05-21 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 (4 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 NPSR1 3290/4885POLB 3418/4885TDP1 3598/4885
US-20230248834-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 NPSR1 3290/4885POLB 3418/4885TDP1 3598/4885
US-20150025058-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS SYK, EIF2AK4, BTK NPSR1 2335/4885POLB 3864/4885TDP1 915/4885
US-20240366770-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN NPSR1 4431/4885POLB 3037/4885TDP1 1215/4885

“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.