SCHEMBL20980347

SCHEMBL20980347

CO[C@H]1CC[C@@](CN(C)C(=O)OC(C)(C)C)(Nc2nc(Cl)ncc2I)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
SYK P43405 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DGAT1 O75907 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
SCHEMBL20980337 0.84 STK17B (0.44) STK17BSTK17ADGAT1
SCHEMBL22994942 0.84 STK17B (0.44) STK17BSTK17ADGAT1
SCHEMBL20959224 0.78 P2RX7 (0.33) STK17BSTK17ASLC6A4SLC6A3
SCHEMBL20959223 0.78 P2RX7 (0.33) STK17BSTK17ASLC6A4SLC6A3
SCHEMBL20926997 0.71 STK17B (0.47) STK17BSTK17ASYK
SCHEMBL20926950 0.69 STK17B (0.46) STK17BSTK17A
SCHEMBL24052729 0.67 LATS1 (0.41) STK17BSTK17A
SCHEMBL20980340 0.67 STK17B (0.38) STK17BSTK17A
SCHEMBL20980348 0.67 STK17B (0.38) STK17BSTK17A
SCHEMBL14976387 0.65 SYK (0.42) STK17BSTK17ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 1110/4885SYK 4263/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA STK17B 897/4885STK17A 1014/4885SYK 4461/4885

“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.