SCHEMBL21100002

SCHEMBL21100002

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
HTR2C P28335 1/20 0.45
FKBP1A P62942 2/20 0.43
HDAC1 Q13547 1/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
POLB P06746 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KLK7 P49862 1/20 0.42
PARP1 P09874 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29121512 0.90 PDK1 (0.52) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL13825887 0.90 PDK1 (0.52) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL15812021 0.88 PDK1 (0.48) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL15811786 0.86 PDK1 (0.48) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL2300448 0.86 POLB (0.52) HTR2CFKBP1AHTTMITFMAPT
SCHEMBL7802196 0.86 POLB (0.52) HTR2CFKBP1AHTTMITFMAPT
SCHEMBL1864842 0.86 POLB (0.52) HTR2CFKBP1AHTTMITFMAPT
SCHEMBL30672178 0.86 ABCB1 (0.42) PDK1PDK2PDK3PDK4FKBP1A
SCHEMBL8332542 0.85 FKBP1A (0.51) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL17893034 0.85 FKBP1A (0.51) PDK1PDK2PDK3PDK4HTR2C

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
WO-2019110751-A1 TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2019-06-13 WO disclosed
US-20190177338-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2019-06-13 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 (1 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-20190177338-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 PDK1 189/4885PDK2 138/4885PDK3 209/4885

“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.