SCHEMBL22399745

SCHEMBL22399745

Nc1n[nH]c2c(=O)[nH]cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.49
ALDH1A1 P00352 1/20 0.47
PARP1 P09874 4/20 0.43
PNP P00491 4/20 0.41
PI4KA P42356 2/20 0.37
PI4K2B Q8TCG2 2/20 0.37
PI4K2A Q9BTU6 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
LRRK2 Q5S007 2/20 0.37
LMNA P02545 1/20 0.37
DRD3 P35462 1/20 0.37
XDH P47989 1/20 0.37
ACHE P22303 1/20 0.36
GDA Q9Y2T3 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL14190552 0.78 PDPK1 (0.76) PDPK1ALDH1A1PARP1PNPACHE
SCHEMBL29159098 0.77 PDPK1 (0.49) PDPK1ALDH1A1PARP1PNPLRRK2
SCHEMBL20187560 0.77 PDPK1 (0.49) PDPK1ALDH1A1PARP1PNPLRRK2
SCHEMBL38653002 0.75 PDPK1 (0.44) PDPK1ALDH1A1PARP1PNPGDA
SCHEMBL23477080 0.73 HPGD (0.50) PDPK1ALDH1A1PARP1PNP
SCHEMBL18521204 0.73 PDPK1 (0.49) PDPK1ALDH1A1PNP
SCHEMBL18521268 0.73 PDPK1 (0.53) PDPK1ALDH1A1PARP1PNPLMNA
SCHEMBL4736800 0.72 PNP (0.50) PDPK1ALDH1A1PARP1PNP
SCHEMBL17966187 0.70 KDM4E (0.53) PDPK1ALDH1A1PNPLMNAPIM1
SCHEMBL670236 0.70 PDPK1 (0.46) PDPK1ALDH1A1PARP1PNP

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 PDPK1 1687/4885ALDH1A1 4183/4885PARP1 147/4885

“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.