SCHEMBL23782889

SCHEMBL23782889

N#Cc1cc2c(nc1Br)C(O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 7/20 0.35
PGR P06401 1/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HTT P42858 2/20 0.33
ACHE P22303 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL25171234 0.91 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23782877 0.82 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29741021 0.82 SMN1; SMN2 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23782851 0.82 SMN1; SMN2 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29740942 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23782845 0.79 GAA (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10287025 0.75 ACHE (0.39) ALDH1A1CYP1A2CYP2C9PGRTSHR
SCHEMBL23793111 0.73 SMN1; SMN2 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23793117 0.71 SMN1; SMN2 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23782803 0.71 SMN1; SMN2 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 ALDH1A1 1904/4885CYP1A2 1951/4885CYP2C9 2820/4885

“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.