SCHEMBL20227136

SCHEMBL20227136

CN/C=C(\C=N)c1ccc2cnc(NC(=O)c3cccc(CN4CCN(C)CC4)c3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.64
GSK3B P49841 11/20 0.64
WNT1 P04628 9/20 0.64
CLK2 P49760 1/20 0.56
CLK3 P49761 1/20 0.56
ABL1 P00519 4/20 0.43
DDR2 Q16832 1/20 0.43

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
SCHEMBL23048911 0.87 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916587 0.86 DYRK1A (0.63) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048735 0.80 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24219750 0.79 DYRK1A (0.62) DYRK1AGSK3BWNT1
SCHEMBL20227181 0.78 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916852 0.78 DYRK1A (0.49) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516582 0.78 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL24218854 0.78 GSK3B (0.63) DYRK1AGSK3BWNT1ABL1
SCHEMBL19540465 0.77 DYRK1A (0.66) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048768 0.77 DYRK1A (0.57) 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-20180155323-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2018-06-07 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-20180155323-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.