SCHEMBL22445924

SCHEMBL22445924

Cc1cc2[nH]nnc2cc1C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 13/20 0.59
▸ AURKA O14965 2/20 0.48
▸ ITK Q08881 2/20 0.48
▸ JAK2 O60674 2/20 0.47
▸ JAK1 P23458 2/20 0.47
▸ TTK P33981 1/20 0.46

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
SCHEMBL22445863 0.97 LRRK2 (0.58) LRRK2AURKAITKJAK2JAK1
SCHEMBL22453882 0.89 LRRK2 (0.55) LRRK2
SCHEMBL22445881 0.85 LRRK2 (0.58) LRRK2AURKAITK
SCHEMBL22445883 0.83 JAK2 (0.44) LRRK2JAK2JAK1
SCHEMBL22445832 0.82 LRRK2 (0.59) LRRK2ITKJAK2JAK1
SCHEMBL22445826 0.82 LRRK2 (0.59) LRRK2AURKAITKJAK2JAK1
SCHEMBL22445853 0.81 JAK2 (0.43) LRRK2JAK2JAK1
SCHEMBL22445893 0.81 LRRK2 (0.58) LRRK2AURKAITK
SCHEMBL22445913 0.81 LRRK2 (0.58) LRRK2ITKJAK2JAK1
SCHEMBL22453880 0.80 LRRK2 (0.52) 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 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 1/4885AURKA 502/4885ITK 3296/4885

“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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