SCHEMBL20959593

SCHEMBL20959593

CCOC(OCC)c1cc2cnc(Cl)nc2n1C1(CNC(=O)O)CCC(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 4/20 0.34
GSK3B P49841 4/20 0.34
DYRK1A Q13627 4/20 0.34
IRAK4 Q9NWZ3 2/20 0.32
P2RX7 Q99572 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
GRM1 Q13255 1/20 0.31
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
APP P05067 1/20 0.30
BACE1 P56817 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL20959598 1.00 WNT1 (0.34) WNT1GSK3BDYRK1AIRAK4P2RX7
SCHEMBL20980308 0.90 STK17B (0.35) WNT1GSK3BDYRK1AIRAK4BACE1
SCHEMBL20980306 0.90 STK17B (0.35) WNT1GSK3BDYRK1AIRAK4BACE1
SCHEMBL16036398 0.89 TP53 (0.33)
SCHEMBL20913352 0.88 TP53 (0.35)
SCHEMBL20959635 0.83 GSK3B (0.32) WNT1GSK3BDYRK1AIRAK4P2RX7
SCHEMBL20913365 0.83 GSK3B (0.32) WNT1GSK3BDYRK1AIRAK4P2RX7
SCHEMBL4549858 0.79 STK17B (0.38) GSK3BDYRK1AABL1
SCHEMBL29620330 0.79 STK17B (0.38) GSK3BDYRK1AABL1
SCHEMBL30926497 0.79 STK17B (0.37) GSK3BDYRK1AP2RX7ABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858835-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD WNT1 523/4885GSK3B 2324/4885DYRK1A 1245/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD WNT1 523/4885GSK3B 2324/4885DYRK1A 1245/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA WNT1 251/4885GSK3B 1634/4885DYRK1A 1586/4885

“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.