SCHEMBL21118747

SCHEMBL21118747

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(NC(c5ccccc5)(c5ccccc5)c5ccccc5)ncnc43)[C@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ NFKB1 P19838 1/20 0.34

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
SCHEMBL29792971 0.78 MEN1 (0.41) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL1795561 0.75 UBA6 (0.48) —
SCHEMBL19509704 0.75 PRMT6 (0.42) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL29772230 0.75 PRMT6 (0.42) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL19500434 0.75 PRMT6 (0.42) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL17363565 0.75 P2RY12 (0.34) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL17363566 0.75 P2RY12 (0.34) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL25966452 0.75 PRMT6 (0.42) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL29827355 0.74 PRMT6 (0.41) PDE4APDE4DPDE4BPDE4CCYP1A2
SCHEMBL9407326 0.74 PRMT6 (0.40) PDE4APDE4DCYP1A2HTR1ACYP2D6

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-20190185511-A1 LOCKED NUCLEIC ACID CYCLIC DINUCLEOTIDE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-06-20 — — 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-20190185511-A1 LOCKED NUCLEIC ACID CYCLIC DINUCLEOTIDE COMPOUNDS AND USES THEREOF STING1, TLR9, IFNAR1 PDE4A 200/4885PDE4D 265/4885PDE4B 307/4885

“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.

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