SCHEMBL20540050

SCHEMBL20540050

Cn1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C5CC5)cc4)C3)nnc2C(N)=O)cn1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.65
▸ LCK P06239 11/20 0.60
▸ JAK3 P52333 11/20 0.60
▸ EGFR P00533 9/20 0.60

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
SCHEMBL18283634 1.00 BTK (0.65) BTKLCKJAK3EGFR
SCHEMBL23080698 0.91 BTK (0.61) BTKLCKJAK3EGFR
SCHEMBL18283683 0.90 BTK (0.70) BTKLCKJAK3EGFR
SCHEMBL20540787 0.90 BTK (0.70) BTKLCKJAK3EGFR
SCHEMBL20540845 0.88 JAK3 (0.75) BTKLCKJAK3EGFR
SCHEMBL18284033 0.88 JAK3 (0.75) BTKLCKJAK3EGFR
SCHEMBL18283704 0.84 JAK3 (0.54) BTKLCKJAK3EGFR
SCHEMBL16764127 0.82 BTK (0.81) BTKLCKJAK3EGFR
SCHEMBL16764942 0.82 BTK (0.81) BTKLCKJAK3EGFR
SCHEMBL16763786 0.81 LCK (0.66) 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 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 1/4885LCK 3/4885JAK3 64/4885
US-20180305348-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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