SCHEMBL22889706

SCHEMBL22889706

Cc1c(C#N)cnc2c1CCC2O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
AR P10275 3/20 0.35
EPAS1 Q99814 2/20 0.34
S1PR1 P21453 1/20 0.32
LRRK2 Q5S007 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.30
KCNJ1 P48048 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL18629818 1.00 CYP11B1 (0.37) CYP11B1CYP11B2AREPAS1S1PR1
SCHEMBL23782896 0.92 CYP11B1 (0.40) CYP11B1CYP11B2ARLRRK2KDM4E
SCHEMBL24664867 0.83 EPAS1 (0.37) EPAS1
SCHEMBL18629715 0.81 CYP11B1 (0.37) CYP11B1CYP11B2AREPAS1
SCHEMBL10287385 0.75 UGT2B17 (0.42) CYP11B1CYP11B2EPAS1
SCHEMBL29741180 0.73 KMT2A (0.43) CYP11B1CYP11B2LRRK2KDM4EALDH1A1
SCHEMBL23782944 0.72 AR (0.37) CYP11B1CYP11B2ARLRRK2KMT2A
SCHEMBL23782732 0.72 CYP11B1 (0.37) CYP11B1CYP11B2KMT2A
SCHEMBL29741085 0.72 CYP11B1 (0.37) CYP11B1CYP11B2KMT2A
SCHEMBL23782853 0.71 KDM4E (0.35) CYP11B1CYP11B2KDM4EALDH1A1

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 8 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
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
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
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 (3 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 CYP11B1 1785/4885CYP11B2 1665/4885AR 4153/4885
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 CYP11B1 1785/4885CYP11B2 1665/4885AR 4153/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 CYP11B1 1785/4885CYP11B2 1665/4885AR 4153/4885

“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.