SCHEMBL30004214

SCHEMBL30004214

Cn1cc(-c2ccc3cnc(NC(=O)c4cccc(N5CCNCC5)c4)cc3c2)cn1

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 19/20 1.00
WNT1 P04628 17/20 1.00
CLK2 P49760 3/20 0.64
CLK3 P49761 3/20 0.64
DYRK3 O43781 1/20 0.62
CSNK1E P49674 1/20 0.62
CLK1 P49759 1/20 0.62
CDK5 Q00535 1/20 0.62
CDK5R1 Q15078 1/20 0.62
DYRK2 Q92630 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
DYRK4 Q9NR20 1/20 0.62
DYRK1B Q9Y463 1/20 0.62

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
SCHEMBL19516599 1.00 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516990 0.91 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546945 0.90 DYRK1A (0.88) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20948017 0.90 DYRK1A (0.81) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19546730 0.90 GSK3B (0.81) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20947715 0.89 DYRK1A (0.80) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20946663 0.87 DYRK1A (0.77) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20947096 0.86 DYRK1A (0.76) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516565 0.86 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30004090 0.86 DYRK1A (1.00) 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 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 1006/4885GSK3B 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.