SCHEMBL25876131

SCHEMBL25876131

COC(=O)C1(OC)CCC(c2nc(Cl)c3cnn(C4CC4)c3n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 15/20 0.34
PDE1B Q01064 6/20 0.34
PDE5A O76074 3/20 0.34
PDE7A Q13946 2/20 0.34
PDE10A Q9Y233 2/20 0.34
GRM1 Q13255 1/20 0.34
PDE1C Q14123 3/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 1/20 0.33
MAPK14 Q16539 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
PDE1A P54750 1/20 0.33

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
SCHEMBL25876051 0.91 PDE9A (0.35) PDE9APDE1BPDE5APDE7APDE10A
SCHEMBL25876132 0.88 PIK3CA (0.34) PDE9APDE1BPDE5AGRM1PDE1C
SCHEMBL25875863 0.88 PDE2A (0.41) PDE10A
SCHEMBL25875942 0.86 MAT2A (0.42)
SCHEMBL25876077 0.84 MERTK (0.35) PDE10A
SCHEMBL25876233 0.84 MAT2A (0.33) PDE10A
SCHEMBL25876275 0.84 PDE1A (0.36) PDE1BPDE10APDE1CPDE1A
SCHEMBL25876041 0.83 MAT2A (0.35) PDE10A
SCHEMBL25875993 0.82 MAT2A (0.33) PDE10A
SCHEMBL25876257 0.82 PIK3CA (0.36) PDE9APDE1BPDE1CPIK3CAMTOR

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 PDE9A 360/4885PDE1B 397/4885PDE5A 730/4885

“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.