SCHEMBL25876309

SCHEMBL25876309

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.36
MTOR P42345 15/20 0.36
PDE2A O00408 2/20 0.35
PIK3CD O00329 1/20 0.33
MAT2A P31153 1/20 0.31
LRRK2 Q5S007 1/20 0.30
HDAC9 Q9UKV0 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
SCHEMBL25876299 0.90 LRRK2 (0.36) PIK3CAMTORPDE2APIK3CDMAT2A
SCHEMBL25876239 0.89 MAT2A (0.32) PDE2AMAT2A
SCHEMBL25875946 0.88 MAT2A (0.40) PIK3CAMTORMAT2A
SCHEMBL25876280 0.87 PDE1A (0.37) MAT2A
SCHEMBL25876083 0.87 MERTK (0.35) MAT2A
SCHEMBL25876042 0.86 MAT2A (0.33) MAT2ALRRK2
SCHEMBL25875917 0.83 PDE2A (0.40) PIK3CAPDE2A
SCHEMBL25876132 0.82 PIK3CA (0.34) PIK3CAMTOR
SCHEMBL25875905 0.82 KLKB1 (0.31)
SCHEMBL25876052 0.80 PDE9A (0.34)

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 390/4885PDE2A 1000/4885

“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.