SCHEMBL22890763

SCHEMBL22890763

CCOC(=O)c1nccc(C#N)c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 8/20 0.43
HSD17B10 Q99714 3/20 0.43
LRRK2 Q5S007 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL29643995 0.90 BRD4 (0.38) BRD4KDM4EHSD17B10LRRK2GAA
SCHEMBL7441626 0.83 KDM4E (0.49) BRD4KDM4EHSD17B10GAAL3MBTL1
SCHEMBL22890754 0.82 LRRK2 (0.44) KDM4ELRRK2L3MBTL1ALDH1A1HPGD
SCHEMBL22889841 0.81 BRD4 (0.42) BRD4KDM4EHSD17B10GAAL3MBTL1
SCHEMBL29255755 0.79 BRD4 (0.48) BRD4KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL5847015 0.78 BRD4 (0.47) BRD4KDM4EL3MBTL1POLBHTT
SCHEMBL28340169 0.78 BRD4 (0.47) BRD4KDM4EHSD17B10L3MBTL1ALDH1A1
SCHEMBL29643902 0.75 BRD4 (0.38) BRD4KDM4EHSD17B10GAAL3MBTL1
SCHEMBL25614134 0.73 NOS3 (0.40) KDM4EHSD17B10LRRK2ALDH1A1HTT
SCHEMBL14895438 0.73 BRD4 (0.48) BRD4KDM4EHSD17B10L3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 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 (2 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 BRD4 267/4885KDM4E 1401/4885HSD17B10 3168/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 BRD4 267/4885KDM4E 1401/4885HSD17B10 3168/4885

“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.