SCHEMBL20980337

SCHEMBL20980337

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
FPR3 P25089 2/20 0.33
FPR2 P25090 2/20 0.33
P2RX7 Q99572 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
DRD2 P14416 3/20 0.31
BACE1 P56817 2/20 0.31
DGAT1 O75907 1/20 0.31
MAPK8 P45983 2/20 0.30
CACNA1B Q00975 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
SCHEMBL22994942 1.00 STK17B (0.44) STK17BSTK17ANPFFR1NPFFR2FPR3
SCHEMBL20926997 0.88 STK17B (0.47) STK17BSTK17ANPFFR1NPFFR2FPR3
SCHEMBL20959224 0.88 P2RX7 (0.33) STK17BSTK17AP2RX7MAPK8
SCHEMBL20959223 0.88 P2RX7 (0.33) STK17BSTK17AP2RX7MAPK8
SCHEMBL20926950 0.86 STK17B (0.46) STK17BSTK17ANPFFR1NPFFR2FPR3
SCHEMBL20980347 0.84 STK17B (0.35) STK17BSTK17ADGAT1
SCHEMBL20980348 0.82 STK17B (0.38) STK17BSTK17ANPFFR1NPFFR2
SCHEMBL20980340 0.82 STK17B (0.38) STK17BSTK17ANPFFR1NPFFR2
SCHEMBL2726118 0.77 STK17B (0.48) STK17BSTK17ANPFFR1NPFFR2FPR3
SCHEMBL20980140 0.76 STK17B (0.47) STK17BSTK17ANPFFR1NPFFR2FPR3

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 1110/4885NPFFR1 3728/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD STK17B 819/4885STK17A 1110/4885NPFFR1 3728/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA STK17B 897/4885STK17A 1014/4885NPFFR1 3819/4885

“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.