SCHEMBL23782830

SCHEMBL23782830

N#Cc1ccc2c(c1)CC(F)(F)C2=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PGR P06401 1/20 0.37
PNMT P11086 6/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
MALT1 Q9UDY8 1/20 0.35
CYP19A1 P11511 1/20 0.35
PDK2 Q15119 1/20 0.35
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL10909712 0.78 PGR (0.41) HTR2AHTR2CHTR2BCYP11B1CYP11B2
SCHEMBL6204873 0.74 METAP1 (0.43) HTR2AHTR2CHTR2BDRD2PDK2
SCHEMBL20951823 0.74 TDP2 (0.46) CA1CA2
SCHEMBL20951531 0.74 CASP1 (0.47) POLB
SCHEMBL21855901 0.72 HTR2A (0.39) HTR2AHTR2CHTR2BCYP11B1CYP11B2
SCHEMBL10341528 0.71 PGR (0.36) HTR2AHTR2CHTR2BCYP11B1CYP11B2
SCHEMBL10341501 0.71 DGAT1 (0.42) PGRMALT1POLB
SCHEMBL9588878 0.71 CYP11B2 (0.47) HTR2AHTR2CHTR2BCYP11B1CYP11B2
SCHEMBL16290475 0.71 EPAS1 (0.31)
SCHEMBL29618319 0.69 PNMT (0.46) PNMTDRD2DRD3PDK2

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 HTR2A 1320/4885HTR2C 1032/4885HTR2B 1106/4885

“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.