SCHEMBL20414845

SCHEMBL20414845

C=C/C(=C\N(C)C)c1ccc2cnc(NC(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.61
DYRK1A Q13627 10/20 0.61
WNT1 P04628 7/20 0.61
CLK2 P49760 1/20 0.54
CLK3 P49761 1/20 0.54
CCNK O75909 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
MNAT1 P51948 2/20 0.47
CDK12 Q9NYV4 2/20 0.47
ACHE P22303 2/20 0.45
BACE1 P56817 2/20 0.45
ALDH1A1 P00352 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL22596801 0.84 DYRK1A (0.60) GSK3BDYRK1AWNT1ABL1
SCHEMBL20414850 0.83 GSK3B (0.61) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL20414809 0.83 GSK3B (0.58) GSK3BDYRK1AWNT1ABL1
SCHEMBL20414820 0.80 GSK3B (0.63) GSK3BDYRK1AWNT1
SCHEMBL22596795 0.79 GSK3B (0.62) GSK3BDYRK1AWNT1ABL1
SCHEMBL23741168 0.78 GSK3B (0.61) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL22596852 0.77 GSK3B (0.54) GSK3BDYRK1AWNT1
SCHEMBL24219769 0.77 GSK3B (0.57) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL19516303 0.76 GSK3B (1.00) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL30004736 0.76 GSK3B (1.00) GSK3BDYRK1AWNT1CLK2CLK3

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-10287267-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2019-05-14 US disclosed
US-20180208580-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-26 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-10287267-B2 Isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK1B GSK3B 10/4885DYRK1A 1/4885WNT1 7/4885
US-20180208580-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK3, DYRK1B GSK3B 10/4885DYRK1A 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.