SCHEMBL20540481

SCHEMBL20540481

C=CC(=O)N1CC[C@@H](Nc2nnc(C(N)=O)c(Nc3ccc(C(C)C)cc3)n2)C1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.71
▸ BTK Q06187 11/20 0.71
▸ LCK P06239 6/20 0.71
▸ JAK3 P52333 7/20 0.57
▸ ITK Q08881 1/20 0.44

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
SCHEMBL20540850 1.00 EGFR (0.71) EGFRBTKLCKJAK3ITK
SCHEMBL20540483 1.00 EGFR (0.71) EGFRBTKLCKJAK3ITK
SCHEMBL18283679 0.95 BTK (0.64) EGFRBTKLCKJAK3ITK
SCHEMBL18283676 0.95 BTK (0.64) EGFRBTKLCKJAK3ITK
SCHEMBL18283860 0.95 BTK (0.64) EGFRBTKLCKJAK3ITK
SCHEMBL18296251 0.94 BTK (0.63) EGFRBTKLCKJAK3ITK
SCHEMBL20540776 0.94 BTK (0.63) EGFRBTKLCKJAK3ITK
SCHEMBL18296247 0.94 BTK (0.63) EGFRBTKLCKJAK3ITK
SCHEMBL18283547 0.86 EGFR (0.53) EGFRBTKLCKJAK3
SCHEMBL23080659 0.86 EGFR (0.62) EGFRBTKLCKJAK3

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 3 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-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 EGFR 705/4885BTK 1/4885LCK 3/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK EGFR 705/4885BTK 1/4885LCK 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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