SCHEMBL23080647

SCHEMBL23080647

CCn1cc(Nc2nc(N3C[C@H](NC(=O)c4ccc(C5CC5)cc4)CC[C@@H]3C)nnc2C(N)=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.45
▸ LCK P06239 11/20 0.45
▸ JAK3 P52333 9/20 0.45
▸ EGFR P00533 7/20 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
SCHEMBL23080646 0.88 JAK3 (0.54) BTKLCKJAK3EGFR
SCHEMBL23080996 0.87 BTK (0.45) BTKLCKJAK3EGFR
SCHEMBL23080698 0.87 BTK (0.61) BTKLCKJAK3EGFR
SCHEMBL18283957 0.81 BTK (0.52) BTKLCKJAK3EGFR
SCHEMBL23080679 0.80 JAK3 (0.39) BTKLCKJAK3EGFR
SCHEMBL23080677 0.79 JAK3 (0.50) BTKLCKJAK3EGFR
SCHEMBL18283986 0.79 JAK3 (0.56) BTKLCKJAK3EGFR
SCHEMBL18283703 0.79 JAK3 (0.56) BTKLCKJAK3EGFR
SCHEMBL20539873 0.79 JAK3 (0.56) BTKLCKJAK3EGFR
SCHEMBL18283741 0.79 JAK3 (0.56) BTKLCKJAK3EGFR

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 1 patent. 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

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK BTK 1/4885LCK 3/4885JAK3 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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