SCHEMBL25875917

SCHEMBL25875917

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.40
BCDIN3D Q7Z5W3 2/20 0.32
SHMT2 P34897 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 1/20 0.30
PDE4B Q07343 1/20 0.30
JAK2 O60674 1/20 0.30
RET P07949 1/20 0.30
KIF5B P33176 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
CCDC6 Q16204 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL25875863 0.88 PDE2A (0.41) PDE2ABCDIN3DSHMT2RAB9ASMN1; SMN2
SCHEMBL25876132 0.88 PIK3CA (0.34) PIK3CA
SCHEMBL25876239 0.87 MAT2A (0.32) PDE2ASMN1; SMN2KMT2A
SCHEMBL25876280 0.87 PDE1A (0.37) SMN1; SMN2PDE4BKMT2A
SCHEMBL25875946 0.86 MAT2A (0.40) SMN1; SMN2PIK3CAPDE4BKMT2A
SCHEMBL25876042 0.86 MAT2A (0.33) SMN1; SMN2KMT2A
SCHEMBL25876260 0.85 PIK3CA (0.36) PIK3CA
SCHEMBL25876083 0.85 MERTK (0.35)
SCHEMBL25876052 0.84 PDE9A (0.34) JAK2RETKIF5BKDRFLT3
SCHEMBL25876309 0.83 PIK3CA (0.36) PDE2APIK3CA

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 PDE2A 1000/4885BCDIN3D 856/4885SHMT2 2855/4885

“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.