SCHEMBL25876330

SCHEMBL25876330

COC(=O)C1(OC)CCC(c2nc(Cl)c3ccn(C)c3n2)CC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CD38 P28907 1/20 0.30
P2RX7 Q99572 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 0.83 PDE2A (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL25876336 0.81 TEAD1 (0.34) ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL25876131 0.80 PDE9A (0.34)
SCHEMBL25876233 0.79 MAT2A (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL25876275 0.79 PDE1A (0.36) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL25875942 0.78 MAT2A (0.42) PDE4B
SCHEMBL25876329 0.78 P2RX7 (0.35) P2RX7
SCHEMBL25876041 0.78 MAT2A (0.35) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL25876299 0.77 LRRK2 (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL25876077 0.77 MERTK (0.35) PDE4APDE4BPDE4CPDE4DALDH1A1

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 PDE4A 696/4885PDE4B 586/4885PDE4C 880/4885

“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.