SCHEMBL22454039

SCHEMBL22454039

CCCc1n[nH]c2ccc(NC(=O)c3c(F)cc4c(cnn4C)c3F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.44
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ F11 P03951 1/20 0.37
▸ BRAF P15056 7/20 0.37
▸ GSK3B P49841 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL22453920 0.87 LRRK2 (0.40) LRRK2MAOBJAK2JAK1F11
SCHEMBL22445867 0.86 LRRK2 (0.45) LRRK2MAOBMAOAJAK2JAK1
SCHEMBL22445817 0.85 LRRK2 (0.44) LRRK2MAOBMAOAJAK2JAK1
SCHEMBL22454050 0.84 LRRK2 (0.46) LRRK2BRAF
SCHEMBL22446002 0.84 LRRK2 (0.43) LRRK2MAOBMAOAJAK2JAK1
SCHEMBL22445871 0.83 AXL (0.51) LRRK2GSK3BDYRK1ACLK2CLK3
SCHEMBL22445995 0.83 LRRK2 (0.45) LRRK2
SCHEMBL22445909 0.83 LRRK2 (0.51) LRRK2JAK2JAK1
SCHEMBL22453184 0.82 LRRK2 (0.49) LRRK2MAOBMAOAF11
SCHEMBL22445823 0.82 LRRK2 (0.51) LRRK2

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
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 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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