SCHEMBL22445991

SCHEMBL22445991

Cn1ncc2cc(C(=O)Nc3ccc4[nH]nc(-c5ccccc5)c4c3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.77
▸ MAOB P27338 3/20 0.58
▸ MAOA P21397 2/20 0.58
▸ ACHE P22303 1/20 0.58
▸ ITK Q08881 3/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ MLLT1 Q03111 4/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49

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
SCHEMBL22453583 0.87 LRRK2 (1.00) LRRK2
SCHEMBL22445841 0.86 LRRK2 (0.70) LRRK2MAOBMAOAACHENPC1
SCHEMBL22445931 0.81 MAOB (0.56) LRRK2MAOBMAOAACHENPC1
SCHEMBL8251866 0.80 JAK2 (0.74) LRRK2ITKNPC1RAB9AAURKA
SCHEMBL14514347 0.79 ITK (0.67) LRRK2ITKAURKAJAK2JAK1
SCHEMBL5379148 0.79 JAK2 (0.65) LRRK2ITKAURKAJAK2JAK1
SCHEMBL22445909 0.79 LRRK2 (0.51) LRRK2ITKAURKAJAK2JAK1
SCHEMBL29510910 0.78 NPC1 (0.78) LRRK2MAOBMAOAACHENPC1
SCHEMBL5377699 0.77 AURKA (0.60) LRRK2ITKAURKAJAK2JAK1
SCHEMBL8260093 0.77 JAK2 (0.70) LRRK2ITKAURKAJAK2JAK1

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 1211/4885MAOA 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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