SCHEMBL21137628

SCHEMBL21137628

CNn1cnc2c(=O)[nH]cnc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 10/20 0.49
PNP P00491 2/20 0.45
ADORA3 P0DMS8 1/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALB P02768 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL21127785 0.83 HPRT1 (0.48) HPRT1PNPLMNAMEN1KMT2A
SCHEMBL1992701 0.78 HPRT1 (0.54) HPRT1PNPALDH1A1
SCHEMBL7405149 0.77 HPRT1 (0.47) HPRT1PNPADORA3LMNAALDH1A1
SCHEMBL22381490 0.76 HPRT1 (0.63) HPRT1PNPLMNAMEN1KMT2A
SCHEMBL19569930 0.76 XDH (0.55) HPRT1PNPMEN1KMT2A
SCHEMBL23228187 0.74 HPRT1 (0.45) HPRT1PNPADORA3
SCHEMBL21417467 0.74 PNP (0.46) HPRT1PNPADORA3LMNAMEN1
SCHEMBL21943254 0.73 HPRT1 (0.44) HPRT1PNPADORA3
SCHEMBL21362204 0.73 HPRT1 (0.51) HPRT1PNPLMNAMEN1KMT2A
SCHEMBL8791177 0.73 HPRT1 (0.51) HPRT1PNPLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 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-20210137962-A9 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
US-10980825-B2 Cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 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 (6 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS HPRT1 248/4885PNP 174/4885ADORA3 579/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS HPRT1 139/4885PNP 138/4885ADORA3 648/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS HPRT1 139/4885PNP 138/4885ADORA3 648/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS HPRT1 139/4885PNP 138/4885ADORA3 648/4885
US-11203610-B2 2′3′ cyclic dinucleotides with phosphonate bond activating the sting adaptor protein STING1, CGAS, IRF3 HPRT1 830/4885PNP 446/4885ADORA3 1062/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 HPRT1 274/4885PNP 462/4885ADORA3 117/4885

“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.