SCHEMBL21396465

SCHEMBL21396465

Nc1nc2c(nc(Br)n2CCO)c(=O)n1CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.46
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 3/20 0.43
ADORA3 P0DMS8 1/20 0.41
CSNK2A2 P19784 3/20 0.38
CSNK2A1 P68400 3/20 0.38
CTNNB1 P35222 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CSNK2B P67870 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TNF P01375 1/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 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
SCHEMBL24775929 0.82 ADORA1 (0.37) PNPADORA2AADORA2BADORA1ADORA3
SCHEMBL24775374 0.81 PNP (0.39) PNPADORA2AADORA2BADORA1ADORA3
SCHEMBL21396498 0.77 ADORA2A (0.48) PNPADORA2AADORA2BADORA1ADORA3
SCHEMBL23920932 0.75 ADORA2A (0.32) ADORA2AADORA2BADORA1ADORA3HSD17B10
SCHEMBL23921197 0.74 ADORA2A (0.39) PNPADORA2AADORA2BADORA1ADORA3
SCHEMBL21396512 0.73 ADORA2A (0.30) ADORA2AADORA2BADORA1
SCHEMBL21396468 0.71 PNP (0.33) PNP
SCHEMBL23921056 0.70 ADORA2A (0.36) PNPADORA2AADORA2BADORA1ADORA3
SCHEMBL23921018 0.62 ADORA2A (0.42) PNPADORA2AADORA2BADORA1ADORA3
SCHEMBL21396518 0.62 ADORA2A (0.39) PNPADORA2AADORA2BADORA1ADORA3

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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2023-08-03 US disclosed
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2021-10-14 US disclosed
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-09-26 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 (3 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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PRKAG3 PNP 111/4885ADORA2A 597/4885ADORA2B 1531/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C PNP 100/4885ADORA2A 368/4885ADORA2B 925/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A PNP 106/4885ADORA2A 533/4885ADORA2B 1519/4885

“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.