SCHEMBL22445894

SCHEMBL22445894

Cc1n[nH]c2ccc(NC(=O)c3ccn4c(C)nnc4c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.46
▸ JAK2 O60674 3/20 0.46
▸ JAK1 P23458 3/20 0.46
▸ LRRK2 Q5S007 11/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ ITK Q08881 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AURKA O14965 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
SCHEMBL22445921 0.85 MLLT1 (0.49) ULK1JAK2JAK1LRRK2NAMPT
SCHEMBL22445877 0.82 MLLT1 (0.47) ULK1JAK2JAK1LRRK2NAMPT
SCHEMBL22445917 0.75 ULK1 (0.48) ULK1JAK2JAK1LRRK2NAMPT
SCHEMBL12286618 0.75 JAK2 (0.63) ULK1JAK2JAK1LRRK2NAMPT
SCHEMBL22445848 0.74 MLLT1 (0.66) ULK1JAK2JAK1LRRK2NAMPT
SCHEMBL18167981 0.73 JAK2 (0.52) ULK1JAK2JAK1LRRK2ITK
SCHEMBL22453795 0.73 LRRK2 (0.40) ULK1JAK2JAK1LRRK2
SCHEMBL31147795 0.73 NPC1 (0.57) ULK1JAK2JAK1LRRK2NAMPT
SCHEMBL14014041 0.72 ITK (0.57) JAK2JAK1ITKKDM4E
SCHEMBL22445841 0.72 LRRK2 (0.70) ULK1JAK2JAK1LRRK2MAPT

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 ULK1 187/4885JAK2 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.

Send feedback