SCHEMBL20938599

SCHEMBL20938599

Cc1nnc(-c2ccc3cnc(NC(=O)[C@H]4CC[C@H](N)CC4)cc3c2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 1.00
DYRK1A Q13627 20/20 1.00
WNT1 P04628 6/20 0.79

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
SCHEMBL20916199 1.00 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515734 0.95 GSK3B (0.90) GSK3BDYRK1AWNT1
SCHEMBL19515593 0.90 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL30004491 0.90 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL23741145 0.88 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515230 0.88 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL19515317 0.88 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515664 0.88 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515665 0.88 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515316 0.88 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 3 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
WO-2019079626-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-04-25 WO 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.