SCHEMBL15745833

SCHEMBL15745833

CC(C)n1ncc2c(=O)[nH]c(N)nc21

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 19/20 0.54

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
SCHEMBL16981646 0.81 PDE9A (0.58) PDE9A
SCHEMBL3002324 0.79 PDE9A (0.53) PDE9A
SCHEMBL889777 0.79 ALDH1A1 (0.56)
SCHEMBL17604242 0.78 PDE9A (0.55) PDE9A
SCHEMBL7877139 0.77 PNP (0.49)
SCHEMBL22071806 0.76 LMNA (0.59) PDE9A
SCHEMBL17604296 0.76 PDE9A (0.53) PDE9A
SCHEMBL24097627 0.76 PNP (0.48)
SCHEMBL11618229 0.76 ALDH1A1 (0.65) PDE9A
SCHEMBL21126169 0.75 PNP (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2023-09-26 US disclosed
US-20230287034-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH INC (US) 2023-09-14 US disclosed
US-20220152078-A1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2022-05-19 US disclosed
US-20220143061-A1 3'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2022-05-12 US disclosed
US-11203610-B2 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2021-12-21 US disclosed
US-11149052-B2 2′3′-cyclic dinucleotides INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2021-10-19 US disclosed
US-10966999-B2 3′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2021-04-06 US disclosed
US-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-01-14 US disclosed
US-20190322697-A1 2'2'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2019-10-24 US disclosed
US-20190322695-A1 2'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2019-10-24 US disclosed
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-06-20 US disclosed
US-20170002355-A1 cGAP-PNA MULTIVALENT PEPTIDE NUCLEIC ACID LIGAND DISPLAY THE USA, AS REPRESENTED BY THE SECRETARY, DEPART- MENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-05 US disclosed
US-20140148500-A1 PROGRAMMABLE SELF-ASSEMBLED NANOSTRUCTURES BASED ON SIDECHAIN-MODIFIED PNA FOR THE MULTIVALENT DISPLAY OF LIGANDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-05-29 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 (13 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-20190322697-A1 2'2'-CYCLIC DINUCLEOTIDES STING1, CGAS, MAVS PDE9A 992/4885
US-10966999-B2 3′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein STING1, IRF3, MAVS PDE9A 516/4885
US-11149052-B2 2′3′-cyclic dinucleotides STING1, MAVS, CGAS PDE9A 1191/4885
US-20230287034-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, IFNAR1 PDE9A 199/4885
US-11766447-B2 3′3′-cyclic dinucleotide analogue comprising a cyclopentanyl modified nucleotide as sting modulator STING1, MAVS, CGAS PDE9A 814/4885
US-20170002355-A1 cGAP-PNA MULTIVALENT PEPTIDE NUCLEIC ACID LIGAND DISPLAY CGAS, STING1, IAPP PDE9A 463/4885
US-20220143061-A1 3'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF STING1, CGAS, IRF3 PDE9A 26/4885
US-20140148500-A1 PROGRAMMABLE SELF-ASSEMBLED NANOSTRUCTURES BASED ON SIDECHAIN-MODIFIED PNA FOR THE MULTIVALENT DISPLAY OF LIGANDS NCL, PARN, COIL PDE9A 1636/4885
US-20220152078-A1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF STING1, CGAS, NT5C2 PDE9A 44/4885
US-20190322695-A1 2'3'-CYCLIC DINUCLEOTIDES STING1, MAVS, CGAS PDE9A 1182/4885
US-11203610-B2 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein STING1, CGAS, IRF3 PDE9A 568/4885
US-20190185510-A1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN STING1, CGAS, IRF3 PDE9A 602/4885
US-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, IFNAR1 PDE9A 317/4885

“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.