SCHEMBL21396510

SCHEMBL21396510

O=C(O)CSc1nc2c(=O)n3cc(-c4ccccc4)[nH]c3nc2n1CCO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.46
ADORA1 P30542 2/20 0.46
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23921219 0.93 ADORA3 (0.45) ADORA3ADORA1ALDH1A1HPGDTP53
SCHEMBL23920978 0.89 ADORA3 (0.52) ADORA3ADORA1ALDH1A1HPGDHSD17B10
SCHEMBL21396522 0.89 RXFP1 (0.47) ADORA3ADORA1ALDH1A1TP53L3MBTL1
SCHEMBL23921155 0.89 ADORA3 (0.46) ADORA3ADORA1ALDH1A1HSD17B10TDP1
SCHEMBL23921143 0.88 ADORA3 (0.46) ADORA3ADORA1ALDH1A1HPGDHSD17B10
SCHEMBL23920870 0.88 ADORA3 (0.52) ADORA3ADORA1ALDH1A1TDP1TP53
SCHEMBL23921233 0.87 ADORA3 (0.51) ADORA3ADORA1TDP1TP53KDM4E
SCHEMBL21396340 0.83 ADORA3 (0.45) ADORA3ADORA1ALDH1A1TDP1TP53
SCHEMBL21396436 0.83 ADORA3 (0.52) ADORA3ADORA1ALDH1A1HPGDALOX15
SCHEMBL23921009 0.82 ADORA3 (0.44) ADORA3ADORA1ALDH1A1TDP1TP53

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 857/4885ALDH1A1 3952/4885
US-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PDE7A, PDE5A ADORA3 463/4885ADORA1 764/4885ALDH1A1 3111/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C ADORA3 322/4885ADORA1 578/4885ALDH1A1 3355/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A ADORA3 449/4885ADORA1 828/4885ALDH1A1 3981/4885

“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.