SCHEMBL22453148

SCHEMBL22453148

Cn1ncc2c(F)c(C(=O)Nc3ccc4[nH]nc(-c5ccccc5O)c4c3)c(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.46
▸ F11 P03951 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ITK Q08881 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ WNT1 P04628 1/20 0.38
▸ DYRK1A Q13627 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
SCHEMBL22453798 0.93 LRRK2 (0.47) LRRK2F11ITKPDPK1WNT1
SCHEMBL22453122 0.92 LRRK2 (0.53) LRRK2F11ITK
SCHEMBL22445909 0.90 LRRK2 (0.51) LRRK2ITK
SCHEMBL22453156 0.89 LRRK2 (0.53) LRRK2F11ITK
SCHEMBL22445825 0.89 LRRK2 (0.47) LRRK2F11WNT1DYRK1A
SCHEMBL22453758 0.89 LRRK2 (0.51) LRRK2
SCHEMBL22445919 0.88 LRRK2 (0.47) LRRK2
SCHEMBL22453527 0.87 LRRK2 (0.44) LRRK2F11ITK
SCHEMBL22445850 0.86 LRRK2 (0.52) LRRK2ITKPDPK1
SCHEMBL22445926 0.86 LRRK2 (0.47) LRRK2F11

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 1/4885F11 4773/4885MEN1 3428/4885

“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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