SCHEMBL22445819

SCHEMBL22445819

CCOC(=O)C1CCc2nn(C)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.48
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
LIMK1 P53667 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
LGMN Q99538 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL22445778 0.80 TBXAS1 (0.39) PDK1GAALMNAKDM4EALDH1A1
SCHEMBL31348148 0.79 HPGD (0.36) GAAL3MBTL1LIMK1LMNAALDH1A1
SCHEMBL7981238 0.79 GAA (0.38) GAAL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL1141831 0.79 LMNA (0.48) PDK1GAAL3MBTL1PIK3R1PIK3CA
SCHEMBL27366654 0.74 PDK1 (0.51) PDK1GAAPIK3R1PIK3CALIMK1
SCHEMBL22446022 0.74 KMT2A (0.46) PDK1GAAPIK3R1PIK3CALIMK1
SCHEMBL2878655 0.74 DRD2 (0.49) PDK1GAAL3MBTL1LIMK1MAPK1
SCHEMBL25554169 0.73 ALDH1A1 (0.43) PDK1GAAL3MBTL1LMNAMAPK1
SCHEMBL27366669 0.73 PDK1 (0.50) PDK1GAALIMK1KDM4EALDH1A1
SCHEMBL3630406 0.72 KDM4E (0.50) PDK1KDM4EALDH1A1KMT2ATSHR

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-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO 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-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 PDK1 1023/4885GAA 993/4885L3MBTL1 460/4885

“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.