SCHEMBL20926953

SCHEMBL20926953

CC(C)(C)OC(=O)NCC1(n2c(C=O)cc3cnc(Cl)nc32)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
DRD2 P14416 4/20 0.32
HCRTR2 O43614 1/20 0.32
SCN9A Q15858 3/20 0.31
CYP3A4 P08684 1/20 0.31
ABL1 P00519 1/20 0.31
PDGFRB P09619 1/20 0.31
SRC P12931 1/20 0.31
PDGFRA P16234 1/20 0.31
MAPK14 Q16539 1/20 0.31
BRD4 O60885 2/20 0.31
TTK P33981 1/20 0.31
FPR3 P25089 2/20 0.31
FPR2 P25090 2/20 0.31
MAPK1 P28482 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL30926288 0.91 STK17B (0.39) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL16076738 0.91 STK17B (0.39) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL20927013 0.87 STK17B (0.36) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL20927009 0.87 STK17B (0.36) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL20926952 0.83 STK17B (0.36) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL21440269 0.82 STK17B (0.42) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL23185359 0.78 STK17B (0.40) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL29437388 0.78 STK17B (0.40) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL2723654 0.78 STK17B (0.40) STK17BSTK17AGSK3BDYRK1ADRD2
SCHEMBL2726115 0.78 STK17B (0.40) STK17BSTK17AGSK3BDYRK1ADRD2

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-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-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 US disclosed
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2019-04-25 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 (5 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 STK17B 819/4885STK17A 1110/4885GSK3B 2324/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD STK17B 819/4885STK17A 1110/4885GSK3B 2324/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA STK17B 897/4885STK17A 1014/4885GSK3B 1634/4885
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD STK17B 650/4885STK17A 929/4885GSK3B 1719/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD STK17B 650/4885STK17A 929/4885GSK3B 1719/4885

“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.