SCHEMBL18283676

SCHEMBL18283676

C=CC(=O)N1CCC[C@@H](Nc2nnc(C(N)=O)c(Nc3ccc(C(C)C)cc3)n2)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.64
▸ EGFR P00533 7/20 0.64
▸ LCK P06239 5/20 0.64
▸ JAK3 P52333 9/20 0.61
▸ ITK Q08881 1/20 0.51
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL18283679 1.00 BTK (0.64) BTKEGFRLCKJAK3ITK
SCHEMBL18283860 1.00 BTK (0.64) BTKEGFRLCKJAK3ITK
SCHEMBL20540776 0.97 BTK (0.63) BTKEGFRLCKJAK3ITK
SCHEMBL18296247 0.97 BTK (0.63) BTKEGFRLCKJAK3ITK
SCHEMBL18296251 0.97 BTK (0.63) BTKEGFRLCKJAK3ITK
SCHEMBL20540850 0.95 EGFR (0.71) BTKEGFRLCKJAK3ITK
SCHEMBL20540481 0.95 EGFR (0.71) BTKEGFRLCKJAK3ITK
SCHEMBL20540483 0.95 EGFR (0.71) BTKEGFRLCKJAK3ITK
SCHEMBL23080659 0.91 EGFR (0.62) BTKEGFRLCKJAK3KMT2A
SCHEMBL20540242 0.90 BTK (0.67) BTKEGFRLCKJAK3ITK

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 5 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
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 — — EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO 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 1/4885EGFR 705/4885LCK 3/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK BTK 1/4885EGFR 705/4885LCK 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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