SCHEMBL25876305

SCHEMBL25876305

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 17/20 0.39
▸ MTOR P42345 17/20 0.39
▸ PDE2A O00408 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.32
▸ PIK3CD O00329 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
SCHEMBL25876241 0.89 MEN1 (0.31) —
SCHEMBL25875947 0.89 MEN1 (0.37) PIK3CAMTOR
SCHEMBL25875975 0.88 — —
SCHEMBL25876281 0.87 PDE1A (0.34) —
SCHEMBL25876085 0.86 MERTK (0.33) —
SCHEMBL25875751 0.84 TP53 (0.32) PIK3CAPDE2A
SCHEMBL25875899 0.83 KLKB1 (0.33) —
SCHEMBL25884292 0.83 PIK3CA (0.35) PIK3CAMTORPDE2APIK3CD
SCHEMBL25876137 0.81 PIK3CA (0.35) PIK3CAMTOR
SCHEMBL25876054 0.80 PDE9A (0.31) PIK3CAMTOR

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 1 patent. 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

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.

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