SCHEMBL25875751

SCHEMBL25875751

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
PDE2A O00408 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CA P42336 3/20 0.30
ATAD2 Q6PL18 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
SCHEMBL25875867 0.90 TP53 (0.32) TP53PIK3CAATAD2
SCHEMBL25875757 0.88 SHMT2 (0.31) PDE2A
SCHEMBL25876241 0.88 MEN1 (0.31) KMT2A
SCHEMBL25876281 0.88 PDE1A (0.34) TP53ALDH1A1HSD17B10KMT2A
SCHEMBL25876137 0.87 PIK3CA (0.35) PIK3CA
SCHEMBL25875947 0.87 MEN1 (0.37) TP53ALDH1A1HSD17B10KMT2APIK3CA
SCHEMBL25876258 0.85 PIK3CA (0.36) PIK3CA
SCHEMBL25876085 0.84 MERTK (0.33)
SCHEMBL25876305 0.84 PIK3CA (0.39) PDE2APIK3CA
SCHEMBL25875975 0.84

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 TP53 840/4885PDE2A 1000/4885KDM4E 1079/4885

“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.