SCHEMBL20261099

SCHEMBL20261099

C[C@@H]1NCC[C@@H]1C(=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.61
DYRK1A Q13627 18/20 0.61
WNT1 P04628 9/20 0.61
USP30 Q70CQ3 1/20 0.54
CLK2 P49760 1/20 0.50
CLK3 P49761 1/20 0.50
MAP4K1 Q92918 1/20 0.49

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
SCHEMBL19515815 0.85 GSK3B (0.73) GSK3BDYRK1AWNT1USP30
SCHEMBL25623359 0.85 GSK3B (0.69) GSK3BDYRK1AWNT1USP30
SCHEMBL19516204 0.84 GSK3B (0.70) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL17632071 0.83 DYRK1A (0.63) GSK3BDYRK1AWNT1USP30
SCHEMBL30004923 0.82 GSK3B (0.69) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19515254 0.82 GSK3B (0.69) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19515255 0.82 GSK3B (0.69) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19544479 0.81 GSK3B (0.70) GSK3BDYRK1AWNT1USP30CLK2
SCHEMBL19515590 0.81 DYRK1A (0.76) GSK3BDYRK1AWNT1
SCHEMBL30005119 0.81 DYRK1A (0.76) GSK3BDYRK1AWNT1

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-20180162852-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LIMITED 2018-06-14 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-20180162852-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 GSK3B 1950/4885DYRK1A 1587/4885WNT1 1323/4885

“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.