SCHEMBL25876299

SCHEMBL25876299

COC(=O)C1(OC)CCC(c2nc(Cl)c3cnn(CC(F)(F)F)c3n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.36
PIK3CA P42336 12/20 0.35
MTOR P42345 12/20 0.35
PDE2A O00408 2/20 0.35
PIK3CD O00329 1/20 0.33
MAT2A P31153 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL25876309 0.90 PIK3CA (0.36) LRRK2PIK3CAMTORPDE2APIK3CD
SCHEMBL25876233 0.89 MAT2A (0.33) LRRK2PDE2AMAT2AHSP90AA1HSP90B1
SCHEMBL25875942 0.89 MAT2A (0.42) LRRK2MAT2APDE4B
SCHEMBL25875993 0.87 MAT2A (0.33) LRRK2PDE2AMAT2AHSP90AA1HSP90B1
SCHEMBL25876077 0.87 MERTK (0.35) LRRK2MAT2AHSP90AA1HSP90B1TRAP1
SCHEMBL25876275 0.87 PDE1A (0.36) LRRK2MAT2AHSP90AA1HSP90B1TRAP1
SCHEMBL25876041 0.86 MAT2A (0.35) LRRK2PDE2AMAT2AHSP90AA1HSP90B1
SCHEMBL25875863 0.83 PDE2A (0.41) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL25876131 0.82 PDE9A (0.34) PIK3CAMTOR
SCHEMBL25875902 0.82 DGAT1 (0.33) MAT2AHSP90AA1HSP90B1TRAP1PDE4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US disclosed
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US 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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 LRRK2 181/4885PIK3CA 487/4885MTOR 390/4885

“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.