SCHEMBL18884643

SCHEMBL18884643

CSc1ccc(Nc2nc(N3CCC[C@@H](NC(=O)N(C)C)[C@H]3C)cnc2C(N)=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.78
▸ LCK P06239 13/20 0.78
▸ EGFR P00533 7/20 0.76
▸ BTK Q06187 7/20 0.76

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
SCHEMBL16764055 0.88 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL18283810 0.87 JAK3 (0.76) JAK3LCKEGFRBTK
SCHEMBL16763576 0.86 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16763898 0.86 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16764186 0.86 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL20539865 0.85 JAK3 (0.78) JAK3LCKEGFRBTK
SCHEMBL18283947 0.85 JAK3 (0.73) JAK3LCKEGFRBTK
SCHEMBL16764378 0.85 JAK3 (0.96) JAK3LCKEGFRBTK
SCHEMBL18283730 0.85 JAK3 (0.76) JAK3LCKEGFRBTK
SCHEMBL18283933 0.85 JAK3 (0.82) JAK3LCKEGFRBTK

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-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — US disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 — — US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 — — 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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 53/4885LCK 3/4885EGFR 692/4885
US-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK JAK3 60/4885LCK 3/4885EGFR 700/4885

“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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