SCHEMBL23782896

SCHEMBL23782896

Cc1c(C#N)cnc2c1CCCC2O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
UGT2B17 O75795 2/20 0.38
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.35
AR P10275 1/20 0.35
OPRK1 P41145 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PGR P06401 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22889706 0.92 CYP11B1 (0.37) CYP11B1CYP11B2KMT2AARLRRK2
SCHEMBL18629818 0.92 CYP11B1 (0.37) CYP11B1CYP11B2KMT2AARLRRK2
SCHEMBL10287385 0.83 UGT2B17 (0.42) CYP11B1CYP11B2UGT2B17ACHE
SCHEMBL29741180 0.80 KMT2A (0.43) CYP11B1CYP11B2UGT2B17KMT2AACHE
SCHEMBL23782944 0.80 AR (0.37) CYP11B1CYP11B2UGT2B17KMT2AACHE
SCHEMBL23782732 0.80 CYP11B1 (0.37) CYP11B1CYP11B2KMT2AACHE
SCHEMBL29741085 0.80 CYP11B1 (0.37) CYP11B1CYP11B2KMT2AACHE
SCHEMBL10287376 0.77 UGT2B17 (0.37) UGT2B17ACHE
SCHEMBL10286336 0.75 UGT2B17 (0.41) CYP11B1CYP11B2UGT2B17KMT2AACHE
SCHEMBL24664867 0.75 EPAS1 (0.37) UGT2B17

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 6 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-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO 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 CYP11B1 1785/4885CYP11B2 1665/4885UGT2B17 857/4885

“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.