SCHEMBL22445950

SCHEMBL22445950

COC(=O)C1CN(c2n[nH]c3ccc(N)cc23)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
AXL P30530 1/20 0.40
MAPK1 P28482 7/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ULK1 O75385 4/20 0.37
SHMT2 P34897 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL22445861 0.82 MAPT (0.47) KDM4EHPGDCNR1CNR2LMNA
SCHEMBL4225789 0.72 MAPK1 (0.50) GSK3BAXLMAPK1CNR1CNR2
SCHEMBL4785792 0.71 JAK2 (0.54) GSK3BAXLMAPK1KDM4ECNR1
SCHEMBL173308 0.71 KDM4E (0.65) GSK3BAXLKDM4EULK1
SCHEMBL3713571 0.70 NAMPT (0.48) KDM4EHSD17B10LMNA
SCHEMBL4783785 0.69 CNR1 (0.53) GSK3BAXLCNR1CNR2
SCHEMBL761105 0.69 MAPK1 (0.54) GSK3BAXLMAPK1CNR1CNR2
SCHEMBL4782452 0.68 JAK2 (0.50) GSK3BAXLMAPK1KDM4ECNR1
SCHEMBL6016427 0.67 SMN1; SMN2 (0.53) GSK3BAXLKDM4EHPGDULK1
SCHEMBL29190564 0.67 MAPK1 (0.44) GSK3BAXLMAPK1CNR1CNR2

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
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
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 GSK3B 13/4885AXL 3001/4885MAPK1 875/4885

“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.