SCHEMBL22445841

SCHEMBL22445841

Cc1n[nH]c2ccc(NC(=O)c3ccc4c(cnn4C)c3)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.70
▸ MAOB P27338 4/20 0.62
▸ MAOA P21397 3/20 0.62
▸ ACHE P22303 1/20 0.62
▸ MLLT1 Q03111 9/20 0.52
▸ MLLT3 P42568 1/20 0.49
▸ CCNC P24863 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ PASK Q96RG2 1/20 0.48
▸ CDK19 Q9BWU1 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PTGER3 P43115 1/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ ULK1 O75385 1/20 0.45

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
SCHEMBL22445991 0.86 LRRK2 (0.77) LRRK2MAOBMAOAACHEMLLT1
SCHEMBL22453583 0.83 LRRK2 (1.00) LRRK2
SCHEMBL22445867 0.77 LRRK2 (0.45) LRRK2MAOBMAOAALDH1A1HPGD
SCHEMBL15875716 0.77 MAOB (1.00) LRRK2MAOBMAOAACHEMLLT1
SCHEMBL15874997 0.77 MAOB (1.00) LRRK2MAOBMAOAACHEMLLT1
SCHEMBL12286618 0.76 JAK2 (0.63) LRRK2MAPTULK1JAK2JAK1
SCHEMBL19662760 0.74 NPC1 (0.64) MAOBMAOAACHENPC1ALDH1A1
SCHEMBL15875707 0.74 MAOB (1.00) LRRK2MAOBMAOAACHEMLLT1
SCHEMBL31147795 0.74 NPC1 (0.57) LRRK2NPC1MAPTRAB9AULK1
SCHEMBL22445917 0.74 ULK1 (0.48) LRRK2NPC1RAB9AULK1JAK2

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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