SCHEMBL23080930

SCHEMBL23080930

NC(=O)c1ncc(N2CCCCC2)nc1Nc1ccc(N2CCC3(CC2)COC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.55
▸ LCK P06239 12/20 0.55
▸ JAK3 P52333 18/20 0.54
▸ EGFR P00533 2/20 0.47

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
SCHEMBL18884637 0.90 BTK (0.64) BTKLCKJAK3EGFR
SCHEMBL18884550 0.89 JAK3 (0.62) BTKLCKJAK3
SCHEMBL21947866 0.89 BTK (0.55) BTKLCKJAK3EGFR
SCHEMBL23081194 0.88 BTK (0.59) BTKLCKJAK3EGFR
SCHEMBL21855202 0.84 BTK (0.59) BTKLCKJAK3EGFR
SCHEMBL21946319 0.84 BTK (0.59) BTKLCKJAK3EGFR
SCHEMBL18296155 0.84 LCK (0.73) BTKLCKJAK3EGFR
SCHEMBL25605387 0.84 BTK (0.59) BTKLCKJAK3EGFR
SCHEMBL18884392 0.83 JAK3 (0.69) BTKLCKJAK3EGFR
SCHEMBL25605382 0.83 BTK (0.62) BTKLCKJAK3EGFR

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

“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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