SCHEMBL21396498

SCHEMBL21396498

Nc1nc2c(nc(Br)n2CCO)c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.48
ADORA1 P30542 6/20 0.48
PNP P00491 3/20 0.47
ADORA2B P29275 4/20 0.45
RAB9A P51151 1/20 0.43
TMIGD3 P0DMS9 3/20 0.42
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL21396465 0.77 PNP (0.46) ADORA2AADORA1PNPADORA2BLMNA
SCHEMBL6359920 0.73 CDK1 (0.49) PNPADORA2BPDE5APDE4APDE4B
SCHEMBL21396524 0.71 RAB9A (0.36) ADORA2AADORA1PNPRAB9APDE5A
SCHEMBL23921197 0.70 ADORA2A (0.39) ADORA2AADORA1PNPADORA2BTSHR
SCHEMBL2128391 0.70 PNP (0.76) ADORA2AADORA1PNP
SCHEMBL3670392 0.70 KDM4E (0.55) ADORA2AADORA1PNPRAB9APDE5A
SCHEMBL21977293 0.70 TP53 (0.42) ADORA2AADORA1LMNATSHRNPSR1
SCHEMBL7206049 0.69 ADORA2A (0.68) ADORA2AADORA1PNPADORA2BTMIGD3
SCHEMBL2776452 0.69 PNP (0.49) PNPRAB9APDE5APDE4APDE4B
SCHEMBL4342141 0.69 ADORA2A (0.56) ADORA2AADORA1PNPADORA2BPDE4A

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 4 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-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES Graybug Vision, Inc. (US) 2022-12-22 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 (4 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 ADORA2A 597/4885ADORA1 857/4885PNP 111/4885
US-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PDE7A, PDE5A ADORA2A 561/4885ADORA1 764/4885PNP 109/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C ADORA2A 368/4885ADORA1 578/4885PNP 100/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A ADORA2A 533/4885ADORA1 828/4885PNP 106/4885

“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.