SCHEMBL17388685

SCHEMBL17388685

C=CC(=O)Nc1cccc(-c2nn(COCC[Si](C)(C)C)c3cnc(Nc4ccc(OCCOC)cc4)nc23)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.57
▸ EGFR P00533 14/20 0.55
▸ ITK Q08881 4/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ LYN P07948 1/20 0.55
▸ TEC P42680 1/20 0.55
▸ TXK P42681 1/20 0.55
▸ BMX P51813 1/20 0.55
▸ JAK3 P52333 1/20 0.55
▸ CD69 Q07108 1/20 0.55

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
SCHEMBL17388664 0.78 BTK (0.64) BTKEGFRITKJAK2LYN
SCHEMBL29847707 0.78 EGFR (0.85) BTKEGFRITKJAK2LYN
SCHEMBL16514391 0.78 EGFR (0.85) BTKEGFRITKJAK2LYN
SCHEMBL15987165 0.77 EGFR (0.65) BTKEGFRITKJAK2LYN
SCHEMBL17388689 0.77 CDK4 (0.45) BTKEGFRITKJAK2LYN
SCHEMBL15987164 0.75 BTK (0.59) BTKEGFRITKJAK2LYN
SCHEMBL26158821 0.73 EGFR (0.82) BTKEGFRITKJAK2LYN
SCHEMBL24377868 0.73 BTK (1.00) BTKEGFRITKJAK2LYN
SCHEMBL30379597 0.72 JAK3 (0.43) BTKITKJAK2JAK3
SCHEMBL25052136 0.72 JAK3 (0.43) BTKITKJAK2JAK3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708326-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-07-18 — — US disclosed
US-9708326-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-07-18 — — US disclosed
US-9708326-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-07-18 — — US disclosed
US-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, LLC. (US) 2016-01-07 — — US disclosed
US-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, LLC. (US) 2016-01-07 — — US disclosed
US-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, LLC. (US) 2016-01-07 — — 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-20160002241-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK BTK 1/4885EGFR 785/4885ITK 145/4885

“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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