SCHEMBL22446002

SCHEMBL22446002

Cn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(C(F)(F)F)c4c3)c(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.43
▸ MAOB P27338 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ F11 P03951 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL22445867 0.88 LRRK2 (0.45) LRRK2MAOBALDH1A1POLBMAOA
SCHEMBL22445817 0.87 LRRK2 (0.44) LRRK2MAOBALDH1A1POLBMAOA
SCHEMBL22453169 0.87 LRRK2 (0.43) LRRK2POLBF11
SCHEMBL22454050 0.85 LRRK2 (0.46) LRRK2BRAF
SCHEMBL22445995 0.84 LRRK2 (0.45) LRRK2
SCHEMBL22445909 0.84 LRRK2 (0.51) LRRK2JAK2JAK1
SCHEMBL22453184 0.84 LRRK2 (0.49) LRRK2MAOBMAOAF11
SCHEMBL22454039 0.84 LRRK2 (0.44) LRRK2MAOBALDH1A1POLBSMN1; SMN2
SCHEMBL22445823 0.84 LRRK2 (0.51) LRRK2
SCHEMBL22445969 0.83 LRRK2 (0.51) LRRK2MAOBALDH1A1POLBMAOA

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
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 1211/4885ALDH1A1 2607/4885

“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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