SCHEMBL24935128

SCHEMBL24935128

Cc1cc(-c2cc(Cl)nn3ccnc23)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ BTK Q06187 5/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ AAK1 Q2M2I8 4/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ NSD2 O96028 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
SCHEMBL29840428 1.00 BRD4 (0.40) BRD4BTKAKT1KCNQ3KCNQ2
SCHEMBL23304194 0.88 BTK (0.37) BTKKCNQ3KCNQ2NR3C1PGR
SCHEMBL29840382 0.87 BRD4 (0.42) BRD4BTKAKT1KCNQ3KCNQ2
SCHEMBL23336440 0.87 BRD4 (0.42) BRD4BTKAKT1KCNQ3KCNQ2
SCHEMBL21425585 0.83 BRD4 (0.42) BRD4
SCHEMBL22664600 0.80 STK17B (0.41) BTKAAK1TRPV1PRMT5WDR77
SCHEMBL29533368 0.80 STK17B (0.41) BTKAAK1TRPV1PRMT5WDR77
SCHEMBL25575025 0.77 BRD4 (0.42) BRD4BTKAKT1TRPV1NSD2
SCHEMBL23337481 0.76 PCSK9 (0.39) BRD4BTKAKT1PRMT5WDR77
SCHEMBL29840373 0.76 PCSK9 (0.39) BRD4BTKAKT1PRMT5WDR77

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 1 patent. 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

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 BRD4 113/4885BTK 4/4885AKT1 165/4885

“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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