SCHEMBL25876275

SCHEMBL25876275

CCCn1ncc2c(Cl)nc(C3CCC(OC)(C(=O)OC)CC3)nc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
MAT2A P31153 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE10A Q9Y233 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LRRK2 Q5S007 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 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
SCHEMBL25876233 0.92 MAT2A (0.33) MAT2APDE4BPDE10APDE4APDE4C
SCHEMBL25875942 0.92 MAT2A (0.42) MAT2APDE4BLRRK2
SCHEMBL25876041 0.91 MAT2A (0.35) MAT2APDE4BPDE10APDE4APDE4C
SCHEMBL25876280 0.89 PDE1A (0.37) PDE1APDE1BPDE1CMAT2APDE4B
SCHEMBL25876077 0.89 MERTK (0.35) MAT2APDE4BPDE10APDE4APDE4C
SCHEMBL25875863 0.87 PDE2A (0.41) PDE4BPDE10APDE4APDE4CPDE4D
SCHEMBL25876299 0.87 LRRK2 (0.36) MAT2APDE4BPDE4APDE4CPDE4D
SCHEMBL25875993 0.87 MAT2A (0.33) MAT2APDE4BPDE10APDE4APDE4C
SCHEMBL25876131 0.84 PDE9A (0.34) PDE1APDE1BPDE1CPDE10A
SCHEMBL25875902 0.84 DGAT1 (0.33) MAT2APDE4BPDE4APDE4CPDE4D

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 PDE1A 491/4885PDE1B 397/4885PDE1C 798/4885

“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.