SCHEMBL24452944

SCHEMBL24452944

COc1ccc(C)c(-c2n[nH]c3ccc(NC(=O)c4c(F)cc5c(cnn5C)c4F)cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.45
▸ ITK Q08881 3/20 0.43
▸ F11 P03951 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PRNP P04156 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PIM1 P11309 1/20 0.39

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
SCHEMBL22453122 0.88 LRRK2 (0.53) LRRK2ITKF11
SCHEMBL22453818 0.87 LRRK2 (0.53) LRRK2ITKRAB9A
SCHEMBL22445926 0.87 LRRK2 (0.47) LRRK2F11
SCHEMBL22453949 0.86 LRRK2 (0.45) LRRK2ITKF11
SCHEMBL22453156 0.86 LRRK2 (0.53) LRRK2ITKF11
SCHEMBL22453961 0.86 LRRK2 (0.53) LRRK2ITK
SCHEMBL22445831 0.85 LRRK2 (0.47) LRRK2F11
SCHEMBL22453942 0.85 LRRK2 (0.43) LRRK2F11
SCHEMBL22453550 0.85 LRRK2 (0.43) LRRK2F11
SCHEMBL22445919 0.85 LRRK2 (0.47) 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 1 patent. 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

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 1/4885ITK 3296/4885F11 4773/4885

“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.

Send feedback