SCHEMBL23920943

SCHEMBL23920943

O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2nc3c(nc(Br)n3CCO)c(=O)n12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.31
MAPT P10636 3/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
HTT P42858 2/20 0.31
PTGES O14684 1/20 0.31
DHODH Q02127 1/20 0.31
PNP P00491 1/20 0.30
KDM4E B2RXH2 3/20 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
SCHEMBL21396535 0.84 ADORA3 (0.39) ALDH1A1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL23920871 0.78 KDM4E (0.40) ALDH1A1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL23921240 0.74 ADORA3 (0.51) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL25930905 0.70 TDP1 (0.50) NPSR1TDP1MAPTLMNA
SCHEMBL23921016 0.66 ADORA3 (0.40) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL21396379 0.66 ADORA3 (0.40) ALDH1A1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL23921157 0.65 TDP1 (0.41) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL23921120 0.65 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL23921018 0.64 ADORA2A (0.42) ADORA3ADORA1ADORA2AADORA2BPNP
SCHEMBL21396498 0.64 ADORA2A (0.48) ALDH1A1ADORA3ADORA1ADORA2AADORA2B

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 2 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-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2021-10-14 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 (2 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 ALDH1A1 3952/4885ADORA3 425/4885ADORA1 857/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A ALDH1A1 3981/4885ADORA3 449/4885ADORA1 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.