SCHEMBL20434838

SCHEMBL20434838

Nc1ncnn2c([C@]3(O)O[C@H](COCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.38
▸ HSPA5 P11021 3/20 0.38
▸ HTR1A P08908 1/20 0.35
▸ PTPN1 P18031 7/20 0.33
▸ CDC25B P30305 6/20 0.33
▸ GJB2 P29033 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ ATG7 O95352 1/20 0.32
▸ PTPN2 P17706 3/20 0.32
▸ PTPN11 Q06124 3/20 0.32
▸ PTPN6 P29350 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL30592031 1.00 PDE2A (0.38) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL18490453 1.00 PDE2A (0.38) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL24539016 1.00 PDE2A (0.38) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL21759078 1.00 PDE2A (0.38) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL21758913 0.88 PDE2A (0.37) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL17106669 0.87 PTPN1 (0.34) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL19412708 0.87 PTPN1 (0.34) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL31063739 0.86 PDE2A (0.37) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL12393373 0.86 PDE2A (0.37) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL27086454 0.86 PDE2A (0.37) PDE2AHSPA5HTR1APTPN1CDC25B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146410-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2023-05-11 — — US disclosed
EP-3573718-B1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2022-06-01 — — EP disclosed
WO-2018138685-A2 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2018-08-02 — — WO 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-20230146410-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, MAVS PDE2A 100/4885HSPA5 2853/4885HTR1A 1353/4885

“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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