SCHEMBL20926952

SCHEMBL20926952

CCOC(OCC)c1cc2cnc(Cl)nc2n1C1(CNC(=O)OC(C)(C)C)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
HCN1 O60741 1/20 0.31
HCN4 Q9Y3Q4 1/20 0.31
NT5E P21589 1/20 0.31
SCN9A Q15858 4/20 0.31
CYP3A4 P08684 2/20 0.31
SCN10A Q9Y5Y9 2/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
SLC6A9 P48067 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
DRD2 P14416 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
SCHEMBL29620330 0.93 STK17B (0.38) STK17BSTK17ANT5ESCN9ACYP3A4
SCHEMBL4549858 0.93 STK17B (0.38) STK17BSTK17ANT5ESCN9ACYP3A4
SCHEMBL30926497 0.92 STK17B (0.37) STK17BSTK17AHCN1HCN4NT5E
SCHEMBL16076736 0.92 STK17B (0.37) STK17BSTK17AHCN1HCN4NT5E
SCHEMBL20980308 0.88 STK17B (0.35) STK17BSTK17ANT5ESCN9ACYP3A4
SCHEMBL20980306 0.88 STK17B (0.35) STK17BSTK17ANT5ESCN9ACYP3A4
SCHEMBL18493681 0.84 STK17B (0.40) STK17BSTK17ASCN9ACYP3A4SCN10A
SCHEMBL20926953 0.83 STK17B (0.38) STK17BSTK17ASCN9ACYP3A4SCN10A
SCHEMBL21014691 0.83 PIK3CD (0.32) SCN9ACYP3A4GSK3BDYRK1ACKS1B
SCHEMBL25957164 0.82 STK17B (0.40) STK17BSTK17ASCN9ACYP3A4SCN10A

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 1110/4885HCN1 4643/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD STK17B 819/4885STK17A 1110/4885HCN1 4643/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA STK17B 897/4885STK17A 1014/4885HCN1 4359/4885
US-20190119294-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD STK17B 650/4885STK17A 929/4885HCN1 4717/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD STK17B 650/4885STK17A 929/4885HCN1 4717/4885

“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.