SCHEMBL21396518

SCHEMBL21396518

O=C1Cn2c(nc3c(nc(Br)n3CCO)c2=O)N1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
PNP P00491 1/20 0.35
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL23921012 0.85 ADORA2A (0.36) ADORA2AADORA2BADORA1PNPADORA3
SCHEMBL21396373 0.69
SCHEMBL23921018 0.67 ADORA2A (0.42) ADORA2AADORA2BADORA1PNPADORA3
SCHEMBL23619278 0.66 CDK1 (0.36) ADORA2AADORA2BADORA1ADORA3
SCHEMBL22079881 0.63 CDK1 (0.41) ADORA2AADORA2BADORA1
SCHEMBL24239244 0.63 ALDH1A1 (0.32)
SCHEMBL21396465 0.62 PNP (0.46) ADORA2AADORA2BADORA1PNPADORA3
SCHEMBL24236938 0.62 ADORA2A (0.41) ADORA2AKDM4E
SCHEMBL21396498 0.62 ADORA2A (0.48) ADORA2AADORA2BADORA1PNPADORA3
SCHEMBL23619441 0.61

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 597/4885ADORA2B 1531/4885ADORA1 857/4885
US-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PDE7A, PDE5A ADORA2A 561/4885ADORA2B 1538/4885ADORA1 764/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C ADORA2A 368/4885ADORA2B 925/4885ADORA1 578/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A ADORA2A 533/4885ADORA2B 1519/4885ADORA1 828/4885

“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.