SCHEMBL30003893

SCHEMBL30003893

CC(C)N1CCN(c2cc(C(=O)Nc3cc4cc(-c5nncs5)ccc4cn3)ccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 1.00
WNT1 P04628 16/20 1.00
GSK3B P49841 16/20 1.00
CLK2 P49760 1/20 0.63
CLK3 P49761 1/20 0.63

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
SCHEMBL19516852 1.00 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL30004627 0.91 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19516584 0.91 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL23916487 0.90 DYRK1A (0.86) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20947707 0.90 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20951726 0.89 DYRK1A (0.81) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL20950645 0.89 DYRK1A (0.80) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19516707 0.88 DYRK1A (1.00) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL19540247 0.87 DYRK1A (0.83) DYRK1AWNT1GSK3B
SCHEMBL20227215 0.87 DYRK1A (0.83) DYRK1AWNT1GSK3BCLK2CLK3

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-20220332698-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2022-10-20 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-20220332698-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A DYRK1A 1006/4885WNT1 1/4885GSK3B 5/4885

“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.