SCHEMBL23337481

SCHEMBL23337481

Cc1cc(-c2ccnn3cccc23)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 1/20 0.39
▸ BRD4 O60885 3/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ BTK Q06187 2/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ CHRM1 P11229 1/20 0.36
▸ PRMT5 O14744 5/20 0.36
▸ WDR77 Q9BQA1 5/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36
▸ BAZ2A Q9UIF9 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ NAMPT P43490 1/20 0.35

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
SCHEMBL29840373 1.00 PCSK9 (0.39) PCSK9BRD4HDAC10HDAC6BTK
SCHEMBL23303943 0.86 BTK (0.39) BTKCHRM1
SCHEMBL27167698 0.85 HDAC6 (0.37) PCSK9BRD4HDAC10HDAC6BTK
SCHEMBL23336440 0.85 BRD4 (0.42) PCSK9BRD4BTKAKT1NSD2
SCHEMBL29840382 0.85 BRD4 (0.42) PCSK9BRD4BTKAKT1NSD2
SCHEMBL23336439 0.84 JAK2 (0.42) BRD4HDAC10HDAC6BTKNSD2
SCHEMBL29840389 0.84 JAK2 (0.42) BRD4HDAC10HDAC6BTKNSD2
SCHEMBL30352426 0.83 RET (0.38) PCSK9BRD4HDAC10HDAC6BTK
SCHEMBL25574267 0.83 RET (0.38) PCSK9BRD4HDAC10HDAC6BTK
SCHEMBL25575025 0.83 BRD4 (0.42) PCSK9BRD4HDAC10HDAC6BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-01-26 — — US disclosed
WO-2021087112-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2021-05-06 — — 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-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, CDK1, CDK2 PCSK9 2784/4885BRD4 113/4885HDAC10 733/4885

“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.

Send feedback