SCHEMBL22445826

SCHEMBL22445826

Cc1cc2[nH]ccc2cc1C(=O)Nc1ccc2[nH]nc(-c3ccccc3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.59
▸ ITK Q08881 5/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ AURKA O14965 1/20 0.48
▸ CFTR P13569 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ JAK1 P23458 1/20 0.47

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
SCHEMBL22445893 0.97 LRRK2 (0.58) LRRK2ITKNPC1MAPTRAB9A
SCHEMBL22445832 0.86 LRRK2 (0.59) LRRK2ITKNPC1RAB9AJAK2
SCHEMBL22445881 0.83 LRRK2 (0.58) LRRK2ITKNPC1RAB9AAURKA
SCHEMBL22445913 0.83 LRRK2 (0.58) LRRK2ITKNPC1RAB9AJAK2
SCHEMBL22445924 0.82 LRRK2 (0.59) LRRK2ITKAURKAJAK2JAK1
SCHEMBL22445863 0.81 LRRK2 (0.58) LRRK2ITKAURKAJAK2JAK1
SCHEMBL14514347 0.79 ITK (0.67) LRRK2ITKAURKAJAK2JAK1
SCHEMBL8252848 0.78 LRRK2 (0.61) LRRK2ITKNPC1RAB9AAURKA
SCHEMBL8251866 0.78 JAK2 (0.74) LRRK2ITKNPC1RAB9AAURKA
SCHEMBL5379148 0.77 JAK2 (0.65) LRRK2ITKAURKAJAK2JAK1

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 1/4885ITK 3296/4885NPC1 123/4885

“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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