SCHEMBL21396458

SCHEMBL21396458

CC(C)c1ccc(Sc2nc3c(=O)n4cc(-c5ccccc5)[nH]c4nc3n2CCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.45
ADORA1 P30542 3/20 0.45
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MCL1 Q07820 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCL2 P10415 1/20 0.32
EPHB4 P54760 1/20 0.31
DHFR P00374 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
SCHEMBL23920929 0.90 ADORA3 (0.46) ADORA3ADORA1TDP1TP53ALDH1A1
SCHEMBL21396340 0.89 ADORA3 (0.45) ADORA3ADORA1TDP1TP53ALDH1A1
SCHEMBL23921009 0.89 ADORA3 (0.44) ADORA3ADORA1TDP1TP53ALDH1A1
SCHEMBL23920864 0.89 ADORA3 (0.45) ADORA3ADORA1TDP1TP53ALDH1A1
SCHEMBL23920998 0.88 ADORA3 (0.48) ADORA3ADORA1TDP1TP53ALDH1A1
SCHEMBL23921237 0.87 ADORA3 (0.43) ADORA3ADORA1TDP1TP53ALDH1A1
SCHEMBL23920938 0.86 ADORA3 (0.42) ADORA3ADORA1TDP1TP53
SCHEMBL23920903 0.86 ADORA3 (0.48) ADORA3ADORA1TDP1TP53ALDH1A1
SCHEMBL23921233 0.84 ADORA3 (0.51) ADORA3ADORA1TDP1TP53GAA
SCHEMBL23920978 0.83 ADORA3 (0.52) ADORA3ADORA1TDP1TP53ALDH1A1

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 ADORA3 425/4885ADORA1 857/4885TDP1 669/4885
US-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PDE7A, PDE5A ADORA3 463/4885ADORA1 764/4885TDP1 1141/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C ADORA3 322/4885ADORA1 578/4885TDP1 1274/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A ADORA3 449/4885ADORA1 828/4885TDP1 690/4885

“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.