SCHEMBL20916006

SCHEMBL20916006

[2H]c1c(NC(=O)CN2CCOCC2)ncc2ccc(-c3cnn(C)c3)cc12

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.84
DYRK1A Q13627 20/20 0.84
WNT1 P04628 18/20 0.84

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
SCHEMBL30005344 0.92 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515500 0.92 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL30006328 0.83 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515870 0.83 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL20916205 0.83 GSK3B (0.84) GSK3BDYRK1AWNT1
SCHEMBL19515686 0.82 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL30005424 0.82 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL24219559 0.82 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL19515692 0.82 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516011 0.82 GSK3B (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604514-B2 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-03-31 US disclosed
US-20190119263-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF MED-PATHWAYS II LIMITED (VG) 2019-04-25 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-10604514-B2 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK2 GSK3B 9/4885DYRK1A 1/4885WNT1 7/4885
US-20190119263-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK3, DYRK2 GSK3B 9/4885DYRK1A 1/4885WNT1 7/4885

“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.