SCHEMBL22453818

SCHEMBL22453818

COc1cccc(-c2n[nH]c3ccc(NC(=O)c4c(F)cc5c(cnn5C)c4F)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 11/20 0.53
▸ ITK Q08881 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL22453961 0.90 LRRK2 (0.53) LRRK2ITK
SCHEMBL22453924 0.89 LRRK2 (0.52) LRRK2AURKA
SCHEMBL22445909 0.89 LRRK2 (0.51) LRRK2ITKAURKAROCK1
SCHEMBL22454048 0.88 LRRK2 (0.53) LRRK2AURKA
SCHEMBL24452944 0.87 LRRK2 (0.45) LRRK2ITKRAB9A
SCHEMBL22445852 0.87 LRRK2 (0.51) LRRK2
SCHEMBL22453156 0.85 LRRK2 (0.53) LRRK2ITK
SCHEMBL22445823 0.85 LRRK2 (0.51) LRRK2
SCHEMBL22454050 0.85 LRRK2 (0.46) LRRK2
SCHEMBL22445874 0.84 LRRK2 (0.49) 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 1/4885ITK 3296/4885TP53 4113/4885

“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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