SCHEMBL23816490

SCHEMBL23816490

Cc1cc(-c2nn(C3CCCCO3)c3ncc(Br)cc23)ccc1[C@@H](C)NC(=O)c1noc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.36
▸ CD69 Q07108 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ KRAS P01116 1/20 0.31

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
SCHEMBL26115607 1.00 BTK (0.36) BTKCD69CYP3A4CYP2C9ABL1
SCHEMBL26117214 0.88 BTK (0.34) BTKCD69CYP3A4CYP2C9
SCHEMBL30064460 0.88 BTK (0.34) BTKCD69CYP3A4CYP2C9
SCHEMBL26117219 0.88 BTK (0.34) BTKCD69CYP3A4CYP2C9
SCHEMBL23816264 0.86 BTK (0.46) BTK
SCHEMBL26114422 0.84 HDAC4 (0.35) BTKKRAS
SCHEMBL26114427 0.84 HDAC4 (0.35) BTKKRAS
SCHEMBL23816033 0.82 CCND3 (0.35) BTKKRAS
SCHEMBL26114028 0.82 CCND3 (0.35) BTKKRAS
SCHEMBL30063454 0.77 BTK (0.35) BTKCD69CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 — — US disclosed
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 — — US disclosed
CN-115335376-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitor with E3 ligase ligand and methods of use thereof 百济神州有限公司 2022-11-11 — — CN disclosed
WO-2021180103-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-09-16 — — 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 (1 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-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN BTK 1/4885CD69 3458/4885CYP3A4 4208/4885

“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.

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