SCHEMBL20945972

SCHEMBL20945972

Nc1cncc(-c2ccc3cnc(NC(=O)c4ccc(OC5CCNCC5)cc4)cc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 1.00
GSK3B P49841 14/20 1.00
WNT1 P04628 9/20 0.72
ABL1 P00519 1/20 0.60
CLK2 P49760 1/20 0.58
CLK3 P49761 1/20 0.58

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
SCHEMBL20949263 0.90 DYRK1A (0.81) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL20946625 0.90 DYRK1A (0.81) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL20945965 0.87 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL20947631 0.87 DYRK1A (0.77) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL20949828 0.86 DYRK1A (0.76) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL20949478 0.86 DYRK1A (0.75) DYRK1AGSK3BWNT1ABL1CLK2
SCHEMBL19540265 0.84 DYRK1A (0.73) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19540158 0.83 DYRK1A (0.72) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30004066 0.83 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19516597 0.83 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220062240-A1 METHODS OF TREATING CANCER USING A CLK INHIBITOR VICKERS VENTURE FUND VI PTE. LTD. (SG) 2022-03-03 US disclosed
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-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
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 (3 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 DYRK1A 1/4885GSK3B 11/4885WNT1 8/4885
US-20220062240-A1 METHODS OF TREATING CANCER USING A CLK INHIBITOR CLK2, CLK1, CLK3 DYRK1A 1172/4885GSK3B 1277/4885WNT1 3129/4885
US-10653688-B2 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK2 DYRK1A 1/4885GSK3B 12/4885WNT1 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.