SCHEMBL25876132

SCHEMBL25876132

COC(=O)C1(OC)CCC(c2nc(O)c3cnn(C4CC4)c3n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.34
MTOR P42345 4/20 0.34
PIK3CG P48736 2/20 0.33
MAPK14 Q16539 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
PDE9A O76083 14/20 0.33
GRM1 Q13255 1/20 0.32
PDE1B Q01064 3/20 0.32
RICTOR Q6R327 1/20 0.32
RPTOR Q8N122 1/20 0.32
MAPKAP1 Q9BPZ7 1/20 0.32
MLST8 Q9BVC4 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1C Q14123 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
SCHEMBL25876260 0.92 PIK3CA (0.36) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL25876052 0.91 PDE9A (0.34) PDE9APDE1BPDE5APDE1C
SCHEMBL25876131 0.88 PDE9A (0.34) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL25875917 0.88 PDE2A (0.40) PIK3CA
SCHEMBL25875946 0.85 MAT2A (0.40) PIK3CAMTOR
SCHEMBL25876083 0.84 MERTK (0.35) PDE1BPDE1C
SCHEMBL25876280 0.84 PDE1A (0.37) PDE1BPDE1C
SCHEMBL25876239 0.84 MAT2A (0.32)
SCHEMBL25876042 0.83 MAT2A (0.33)
SCHEMBL25876257 0.82 PIK3CA (0.36) PIK3CAMTORPIK3CGMAPK14CSNK1G1

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 PIK3CA 487/4885MTOR 390/4885PIK3CG 1408/4885

“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.