SCHEMBL30003188

SCHEMBL30003188

CN1CCC(Oc2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 1.00
GSK3B P49841 18/20 1.00
WNT1 P04628 15/20 1.00
CLK2 P49760 6/20 0.80
CLK3 P49761 6/20 0.80
DYRK3 O43781 1/20 0.69
CSNK1E P49674 1/20 0.69
CLK1 P49759 1/20 0.69
CDK5 Q00535 1/20 0.69
CDK5R1 Q15078 1/20 0.69
DYRK2 Q92630 1/20 0.69
CLK4 Q9HAZ1 1/20 0.69
DYRK4 Q9NR20 1/20 0.69
DYRK1B Q9Y463 1/20 0.69

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
SCHEMBL19516404 1.00 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516869 0.92 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL32665494 0.92 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL32665340 0.92 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516519 0.92 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30003747 0.91 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516486 0.91 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916319 0.90 DYRK1A (0.82) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20948937 0.90 DYRK1A (0.82) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20948728 0.89 DYRK1A (0.81) DYRK1AGSK3BWNT1CLK2CLK3

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-20260022108-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2026-01-22 US disclosed
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 (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-20260022108-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A DYRK1A 2162/4885GSK3B 8/4885WNT1 1/4885
US-20220332698-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A DYRK1A 1006/4885GSK3B 5/4885WNT1 1/4885

“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.