SCHEMBL20539740

SCHEMBL20539740

CC(C)c1ccc(C(=O)NC2CCCN(c3cnc(C(N)=O)c(Nc4ccc(CN(C)C)cc4)n3)C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.78
▸ JAK3 P52333 12/20 0.76
▸ LCK P06239 9/20 0.76
▸ EGFR P00533 5/20 0.76

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
SCHEMBL18284025 1.00 BTK (0.78) BTKJAK3LCKEGFR
SCHEMBL18283838 0.89 BTK (0.83) BTKJAK3LCKEGFR
SCHEMBL20540778 0.89 BTK (0.83) BTKJAK3LCKEGFR
SCHEMBL18283714 0.88 BTK (0.60) BTKJAK3LCKEGFR
SCHEMBL16765088 0.87 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16764239 0.87 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763938 0.86 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763935 0.86 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL20539735 0.85 BTK (0.77) BTKJAK3LCKEGFR
SCHEMBL18283535 0.85 BTK (0.77) BTKJAK3LCKEGFR

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 — — 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 (2 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK BTK 1/4885JAK3 64/4885LCK 3/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK BTK 1/4885JAK3 64/4885LCK 3/4885

“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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