SCHEMBL24499702

SCHEMBL24499702

CCNCn1cnc2c(=O)[nH]c(=O)[nH]c21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.48
GDA Q9Y2T3 1/20 0.36
HPRT1 P00492 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
TK1 P04183 1/20 0.32
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 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
PDE5A O76074 1/20 0.31

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
SCHEMBL380137 0.83 PNP (0.50) PNPGDAGAAKMT2ATK1
SCHEMBL7217325 0.81 PNP (0.49) PNPGDAGAAKMT2ATK1
SCHEMBL5054173 0.80 PNP (0.54) PNPGDAGAAKMT2APDE1A
SCHEMBL6233163 0.78 PNP (0.58) PNPGDAGAAKMT2ATK1
SCHEMBL9885862 0.77 PNP (0.45) PNPHPRT1KMT2APDE1APDE1B
SCHEMBL27586845 0.76 PNP (0.53) PNPGDAHPRT1KMT2ATK1
SCHEMBL27573642 0.76 PNP (0.50) PNPGDAHPRT1KMT2ATK1
SCHEMBL9386892 0.76 PNP (0.47) PNPGDAHPRT1KMT2ATK1
SCHEMBL60160 0.76 PNP (0.47) PNPGDAKMT2APDE4AADORA2A
SCHEMBL22326708 0.76 PNP (0.47) PNPGDAGAAKMT2ATK1

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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 PNP 302/4885GDA 286/4885HPRT1 309/4885

“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.