SCHEMBL610422

SCHEMBL610422

CN1C[C@@H]2C[C@H]1CN2c1cnc(N)cn1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 16/20 0.60
▸ KCNH2 Q12809 13/20 0.60

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
SCHEMBL611306 0.78 CHRNA7 (0.62) CHRNA7KCNH2
SCHEMBL21246740 0.77 CHRNA7 (0.50) CHRNA7KCNH2
SCHEMBL9141665 0.76 CHRNA7 (0.55) CHRNA7KCNH2
SCHEMBL9141651 0.76 CHRNA7 (0.55) CHRNA7KCNH2
SCHEMBL9141657 0.76 CHRNA7 (0.55) CHRNA7KCNH2
SCHEMBL9142830 0.76 CHRNA7 (0.55) CHRNA7KCNH2
SCHEMBL9142821 0.76 CHRNA7 (0.55) CHRNA7KCNH2
SCHEMBL15743901 0.75 CHRNA7 (0.66) CHRNA7KCNH2
SCHEMBL25557071 0.75 CHRNA7 (0.50) CHRNA7KCNH2
SCHEMBL21262667 0.74 CHRNA7 (0.64) CHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 — — US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 — — US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 — — 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN CHRNA7 3929/4885KCNH2 2941/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CHRNA7 3929/4885KCNH2 2941/4885

“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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