SCHEMBL22890872

SCHEMBL22890872

C=Cc1nc(C(=O)OC)c(C)c(C)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.44
ALDH1A1 P00352 9/20 0.43
HPGD P15428 5/20 0.43
GAA P10253 4/20 0.43
KDM4E B2RXH2 6/20 0.40
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 3/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
MAPK10 P53779 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL22890865 0.87 ALDH1A1 (0.44) LRRK2ALDH1A1HPGDGAAKDM4E
SCHEMBL22890491 0.83 LRRK2 (0.43) LRRK2ALDH1A1HPGDGAAKDM4E
SCHEMBL29496233 0.81 NPSR1 (0.52) LRRK2ALDH1A1HPGDGAAKDM4E
SCHEMBL21847824 0.81 NPSR1 (0.52) LRRK2ALDH1A1HPGDGAAKDM4E
SCHEMBL22890816 0.77 ALDH1A1 (0.47) LRRK2ALDH1A1HPGDGAAKDM4E
SCHEMBL22890871 0.75 LRRK2 (0.38) LRRK2L3MBTL1
SCHEMBL22890764 0.73 ALDH1A1 (0.43) LRRK2ALDH1A1HPGDGAAKDM4E
SCHEMBL22890405 0.73 ALDH1A1 (0.43) LRRK2ALDH1A1HPGDGAAKDM4E
SCHEMBL21847851 0.73 ALDH1A1 (0.56) LRRK2ALDH1A1HPGDGAAKDM4E
SCHEMBL29496196 0.73 ALDH1A1 (0.56) LRRK2ALDH1A1HPGDGAAKDM4E

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-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 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 (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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 LRRK2 1/4885ALDH1A1 1904/4885HPGD 2992/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 LRRK2 1/4885ALDH1A1 1904/4885HPGD 2992/4885

“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.