SCHEMBL23782870

SCHEMBL23782870

N#Cc1cc(F)c2c(c1)CCC2O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 14/20 0.38
VEGFA P15692 2/20 0.37
PGR P06401 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
HTR7 P34969 1/20 0.35
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 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
SCHEMBL23782968 0.80 PGR (0.38) EPAS1VEGFAPGRCYP11B1CYP11B2
SCHEMBL326748 0.77 CYP11B1 (0.38) EPAS1VEGFACYP11B1CYP11B2
SCHEMBL16798084 0.74 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL16800617 0.74 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL29741125 0.74 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL17514572 0.72 PANK3 (0.35) CYP11B1CYP11B2HTR7FPR1FPR2
SCHEMBL27203873 0.71 CYP11B1 (0.35) EPAS1VEGFACYP11B1CYP11B2
SCHEMBL29854658 0.71 CYP11B1 (0.35) EPAS1VEGFACYP11B1CYP11B2
SCHEMBL26183123 0.70 EPAS1 (0.41) EPAS1VEGFAPGRCYP11B1CYP11B2
SCHEMBL17514714 0.69 DRD2 (0.37) PGRCYP11B1CYP11B2HTR7FPR1

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 EPAS1 4245/4885VEGFA 4880/4885PGR 4682/4885

“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.