SCHEMBL20976405

SCHEMBL20976405

Cc1cc(Br)ccc1CNC(=O)N1CC(OC(C)C(C)C2(C)OB(B3OC(C)(C)C(C)(C)O3)OC2(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CD69 Q07108 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ MAP3K19 Q56UN5 1/20 0.39
▸ CDKL2 Q92772 1/20 0.39
▸ RIOK1 Q9BRS2 1/20 0.39
▸ RIOK2 Q9BVS4 1/20 0.39
▸ BMP2K Q9NSY1 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL16793564 0.80 BTK (0.53) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793852 0.75 BTK (0.47) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20027005 0.73 BTK (0.41) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL16793935 0.72 BTK (0.47) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL18183911 0.70 BTK (0.48) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20027003 0.69 BTK (0.45) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL25590604 0.68 BTK (0.53) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL18179518 0.64 BTK (0.53) BTKEPHX2
SCHEMBL25584965 0.63 BTK (0.59) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL20461055 0.62 BTK (0.61) BTKJAK2CYP3A4HRH2CDK7

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-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors BIOGEN MA INC. (US) 2019-05-07 — — 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-10280169-B2 Biaryl bruton's tyrosine kinase inhibitors ABL1, BTK, LYN BTK 2/4885JAK2 20/4885CYP3A4 2782/4885

“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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