SCHEMBL20968495

SCHEMBL20968495

C=N/N=C\C(=C/C)c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.57
DYRK1A Q13627 20/20 0.57
WNT1 P04628 16/20 0.57

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
SCHEMBL19544288 0.79 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23740895 0.79 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23740934 0.76 GSK3B (0.56) GSK3BDYRK1AWNT1
SCHEMBL23741592 0.76 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23741354 0.75 GSK3B (0.59) GSK3BDYRK1AWNT1
SCHEMBL23740983 0.75 GSK3B (0.56) GSK3BDYRK1AWNT1
SCHEMBL23740935 0.75 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23741001 0.75 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL24219478 0.74 GSK3B (0.55) GSK3BDYRK1AWNT1
SCHEMBL30006297 0.73 GSK3B (0.66) 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-10653688-B2 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-05-19 US disclosed
US-20190125740-A1 6-(6-MEMBERED HETEROARYL & ARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-05-02 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-20190125740-A1 6-(6-MEMBERED HETEROARYL & ARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK2, DYRK3 GSK3B 11/4885DYRK1A 1/4885WNT1 8/4885
US-10653688-B2 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK2 GSK3B 12/4885DYRK1A 1/4885WNT1 8/4885

“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.