SCHEMBL21396535

SCHEMBL21396535

Cc1c(-c2ccccc2)[nH]c2nc3c(nc(Br)n3CCO)c(=O)n12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.39
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
TSHR P16473 2/20 0.35
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL23920871 0.85 KDM4E (0.40) ADORA3TP53MEN1KMT2AKDM4E
SCHEMBL23920943 0.84 ALDH1A1 (0.36) ADORA3TP53MEN1KMT2AKDM4E
SCHEMBL23921240 0.77 ADORA3 (0.51) ADORA3TP53ADORA1ADORA2AADORA2B
SCHEMBL21396477 0.75 TDP1 (0.31)
SCHEMBL21396504 0.71 ADORA3 (0.42) ADORA3TP53KDM4ELMNARAB9A
SCHEMBL23921016 0.69 ADORA3 (0.40) ADORA3TP53ADORA1ADORA2AADORA2B
SCHEMBL21396379 0.69 ADORA3 (0.40) ADORA3TP53KDM4EADORA1ADORA2A
SCHEMBL23921008 0.68 ADORA3 (0.42) ADORA3TP53KDM4EADORA1ADORA2A
SCHEMBL23921120 0.67 ADORA3 (0.41) ADORA3TP53ADORA1ADORA2AADORA2B
SCHEMBL23921157 0.67 TDP1 (0.41) ADORA3TP53ADORA1ADORA2AADORA2B

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-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES Graybug Vision, Inc. (US) 2022-12-22 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 (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-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PDE7A, PDE5A ADORA3 463/4885TP53 4363/4885MEN1 2310/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C ADORA3 322/4885TP53 4106/4885MEN1 2540/4885

“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.