SCHEMBL20540247

SCHEMBL20540247

C=CC(=O)N1CCCC(Nc2nnc(C(N)=O)c(Nc3ccc4c(cnn4CC)c3)n2)C1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.71
▸ EGFR P00533 7/20 0.55
▸ JAK3 P52333 7/20 0.55
▸ LCK P06239 5/20 0.55
▸ BTK Q06187 7/20 0.55
▸ ITK Q08881 1/20 0.45

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
SCHEMBL18296306 1.00 SYK (0.71) SYKEGFRJAK3LCKBTK
SCHEMBL23081034 0.92 SYK (0.73) SYKEGFRJAK3LCKBTK
SCHEMBL20540846 0.85 SYK (0.51) SYKEGFRJAK3BTKITK
SCHEMBL20540562 0.82 BTK (0.67) EGFRJAK3LCKBTKITK
SCHEMBL18296243 0.82 BTK (0.67) EGFRJAK3LCKBTKITK
SCHEMBL20540838 0.81 BTK (0.59) SYKEGFRJAK3LCKBTK
SCHEMBL20540837 0.81 BTK (0.59) SYKEGFRJAK3LCKBTK
SCHEMBL18296518 0.81 BTK (0.64) EGFRJAK3LCKBTK
SCHEMBL20540883 0.81 BTK (0.64) EGFRJAK3LCKBTK
SCHEMBL15935568 0.81 SYK (0.80) SYKEGFRJAK3LCK

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 SYK 4/4885EGFR 705/4885JAK3 64/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SYK 4/4885EGFR 705/4885JAK3 64/4885

“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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