SCHEMBL22445867

SCHEMBL22445867

Cc1n[nH]c2ccc(NC(=O)c3c(F)cc4c(cnn4C)c3F)cc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.45
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.40
▸ F11 P03951 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL22445817 0.89 LRRK2 (0.44) LRRK2MAOBMAOAF11ALDH1A1
SCHEMBL22445823 0.88 LRRK2 (0.51) LRRK2
SCHEMBL22446002 0.88 LRRK2 (0.43) LRRK2MAOBMAOAF11ALDH1A1
SCHEMBL22454050 0.88 LRRK2 (0.46) LRRK2
SCHEMBL22445874 0.88 LRRK2 (0.49) LRRK2
SCHEMBL22453166 0.87 LRRK2 (0.51) LRRK2
SCHEMBL22445909 0.87 LRRK2 (0.51) LRRK2JAK2JAK1
SCHEMBL22445995 0.87 LRRK2 (0.45) LRRK2
SCHEMBL22445831 0.87 LRRK2 (0.47) LRRK2F11
SCHEMBL22454039 0.86 LRRK2 (0.44) LRRK2MAOBMAOAF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 — — WO claimed
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
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 LRRK2 1/4885MAOB 1211/4885MAOA 1286/4885

“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.

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