SCHEMBL25876137

SCHEMBL25876137

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.35
MTOR P42345 17/20 0.35
PIK3CG P48736 5/20 0.35
MAPK14 Q16539 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
ATR Q13535 3/20 0.33
PDE9A O76083 2/20 0.32
PDE1B Q01064 1/20 0.32
AURKB Q96GD4 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL25876258 0.92 PIK3CA (0.36) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL25876054 0.91 PDE9A (0.31) PIK3CAMTORPDE9APDE1B
SCHEMBL25875751 0.87 TP53 (0.32) PIK3CA
SCHEMBL25876085 0.85 MERTK (0.33) PDE1B
SCHEMBL25875947 0.85 MEN1 (0.37) PIK3CAMTOR
SCHEMBL25876281 0.83 PDE1A (0.34) PDE1B
SCHEMBL25876241 0.83 MEN1 (0.31)
SCHEMBL25875975 0.81
SCHEMBL25876305 0.81 PIK3CA (0.39) PIK3CAMTOR
SCHEMBL25883181 0.81 PDE1B (0.39) PIK3CAMTORPDE9APDE1B

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 390/4885PIK3CG 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.