SCHEMBL21396524

SCHEMBL21396524

Nc1nc2c(nc(Br)n2CC(O)C2OP(S)OCC2O)c(=O)n1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PNP P00491 3/20 0.35
CYP1A2 P05177 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21396498 0.71 ADORA2A (0.48) RAB9APDE5APDE4APDE4BPDE4C
SCHEMBL21396345 0.71 TDP1 (0.38)
SCHEMBL21396533 0.70
SCHEMBL25933224 0.68 TDP1 (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL25931305 0.68 TDP1 (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL21396468 0.67 PNP (0.33) PNP
SCHEMBL21396464 0.66 TDP1 (0.39) ADORA1
SCHEMBL29727308 0.65 CYP1A2 (0.59) ADORA2AADORA1PNPCYP1A2LMNA
SCHEMBL25931304 0.64 TDP1 (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL21396461 0.63 PNP (0.35) PNP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C RAB9A 4028/4885PDE5A 4/4885PDE4A 5/4885

“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.