SCHEMBL22445882

SCHEMBL22445882

Cc1cc2nn(C)nc2cc1C(=O)Nc1ccc2[nH]nc(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 13/20 0.45
▸ JAK2 O60674 6/20 0.44
▸ JAK1 P23458 6/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL22445968 0.85 RAB9A (0.47) LRRK2JAK2JAK1KDM4EALDH1A1
SCHEMBL22445920 0.85 RAB9A (0.48) LRRK2JAK2JAK1KDM4EALDH1A1
SCHEMBL22445883 0.82 JAK2 (0.44) LRRK2JAK2JAK1KDM4EALDH1A1
SCHEMBL22889932 0.76 LRRK2 (0.70) LRRK2
SCHEMBL22445904 0.75 LRRK2 (0.43) LRRK2JAK2JAK1KDM4EALDH1A1
SCHEMBL18167981 0.75 JAK2 (0.52) LRRK2JAK2JAK1
SCHEMBL22453896 0.74 JAK2 (0.43) LRRK2JAK2JAK1KDM4EALDH1A1
SCHEMBL12286618 0.74 JAK2 (0.63) LRRK2JAK2JAK1
SCHEMBL22453882 0.74 LRRK2 (0.55) LRRK2
SCHEMBL14014041 0.74 ITK (0.57) JAK2JAK1KDM4EALDH1A1

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 1/4885JAK2 2201/4885JAK1 1985/4885

“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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