SCHEMBL20927009

SCHEMBL20927009

CO[C@H]1CC[C@](CNC(=O)OC(C)(C)C)(n2c(C=O)cc3cnc(Cl)nc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
BACE1 P56817 2/20 0.35
TTK P33981 2/20 0.33
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
FPR3 P25089 2/20 0.31
FPR2 P25090 2/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
DRD2 P14416 1/20 0.30
SUV39H2 Q9H5I1 1/20 0.30
CPB2 Q96IY4 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL20927013 1.00 STK17B (0.36) STK17BSTK17ABACE1TTKAURKA
SCHEMBL16076738 0.89 STK17B (0.39) STK17BSTK17ATTKGSK3BDYRK1A
SCHEMBL20913365 0.89 GSK3B (0.32) BACE1TTKCCNA2CDK2GSK3B
SCHEMBL30926288 0.89 STK17B (0.39) STK17BSTK17ATTKGSK3BDYRK1A
SCHEMBL20959635 0.89 GSK3B (0.32) BACE1TTKCCNA2CDK2GSK3B
SCHEMBL20926953 0.87 STK17B (0.38) STK17BSTK17ATTKFPR3FPR2
SCHEMBL20980306 0.84 STK17B (0.35) STK17BSTK17ABACE1TTKAURKA
SCHEMBL20980308 0.84 STK17B (0.35) STK17BSTK17ABACE1TTKAURKA
SCHEMBL21440269 0.80 STK17B (0.42) STK17BSTK17AFPR3FPR2GSK3B
SCHEMBL22570052 0.77 STK17B (0.39) 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 1110/4885BACE1 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
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD STK17B 650/4885STK17A 929/4885BACE1 4258/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD STK17B 650/4885STK17A 929/4885BACE1 4258/4885

“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.