SCHEMBL20980308

SCHEMBL20980308

CCOC(OCC)c1cc2cnc(Cl)nc2n1[C@]1(CNC(=O)OC(C)(C)C)CC[C@@H](OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
BACE1 P56817 2/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
PIK3CD O00329 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
AURKA O14965 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
TTK P33981 1/20 0.30
NT5E P21589 1/20 0.30
IRAK4 Q9NWZ3 2/20 0.30
CYP3A4 P08684 1/20 0.30
SCN9A Q15858 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
SCHEMBL20980306 1.00 STK17B (0.35) STK17BSTK17ABACE1CKS1BSKP1
SCHEMBL20959598 0.90 WNT1 (0.34) BACE1WNT1GSK3BDYRK1AIRAK4
SCHEMBL20959593 0.90 WNT1 (0.34) BACE1WNT1GSK3BDYRK1AIRAK4
SCHEMBL29620330 0.90 STK17B (0.38) STK17BSTK17ACKS1BSKP1SKP2
SCHEMBL4549858 0.90 STK17B (0.38) STK17BSTK17ACKS1BSKP1SKP2
SCHEMBL16076736 0.90 STK17B (0.37) STK17BSTK17ACKS1BSKP1SKP2
SCHEMBL30926497 0.90 STK17B (0.37) STK17BSTK17ACKS1BSKP1SKP2
SCHEMBL20926952 0.88 STK17B (0.36) STK17BSTK17ACKS1BSKP1SKP2
SCHEMBL20927009 0.84 STK17B (0.36) STK17BSTK17ABACE1CKS1BSKP1
SCHEMBL20927013 0.84 STK17B (0.36) STK17BSTK17ABACE1CKS1BSKP1

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-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 STK17B 819/4885STK17A 1110/4885BACE1 4420/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD STK17B 819/4885STK17A 1110/4885BACE1 4420/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA STK17B 897/4885STK17A 1014/4885BACE1 4031/4885

“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.