SCHEMBL20539724

SCHEMBL20539724

Cc1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C5CC5)cc4)C3)cnc2C(N)=O)sn1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.82
▸ LCK P06239 12/20 0.82
▸ BTK Q06187 10/20 0.82
▸ EGFR P00533 5/20 0.65

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
SCHEMBL18283808 1.00 JAK3 (0.82) JAK3LCKBTKEGFR
SCHEMBL20540791 0.92 JAK3 (0.85) JAK3LCKBTKEGFR
SCHEMBL18283601 0.92 JAK3 (0.85) JAK3LCKBTKEGFR
SCHEMBL20540058 0.92 JAK3 (0.84) JAK3LCKBTKEGFR
SCHEMBL18283909 0.92 JAK3 (0.84) JAK3LCKBTKEGFR
SCHEMBL20539866 0.92 JAK3 (0.84) JAK3LCKBTKEGFR
SCHEMBL18283511 0.92 JAK3 (0.84) JAK3LCKBTKEGFR
SCHEMBL18283984 0.92 BTK (0.83) JAK3LCKBTKEGFR
SCHEMBL20540718 0.92 BTK (0.83) JAK3LCKBTKEGFR
SCHEMBL18284014 0.91 BTK (0.82) JAK3LCKBTKEGFR

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 JAK3 64/4885LCK 3/4885BTK 1/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK JAK3 64/4885LCK 3/4885BTK 1/4885

“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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