SCHEMBL21396528

SCHEMBL21396528

Nc1ccc(-c2cn3c(=O)c4nc(Br)n(CCO)c4nc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.40
ADORA2B P29275 5/20 0.40
ADORA2A P29274 4/20 0.40
ADORA3 P0DMS8 9/20 0.40
TDP1 Q9NUW8 1/20 0.39
PNP P00491 1/20 0.39
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.31
HPRT1 P00492 1/20 0.30
TNKS O95271 1/20 0.30
PARP1 P09874 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL23921120 0.91 ADORA3 (0.41) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL23921079 0.90 ADORA3 (0.46) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL21396504 0.90 ADORA3 (0.42) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL23921015 0.90 ADORA3 (0.40) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL23921240 0.89 ADORA3 (0.51) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL23921157 0.88 TDP1 (0.41) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL23921154 0.87 ADORA3 (0.49) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL23921239 0.87 ADORA3 (0.38) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL23920872 0.87 MEN1 (0.40) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL21396379 0.85 ADORA3 (0.40) ADORA1ADORA2BADORA2AADORA3TDP1

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

“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.