SCHEMBL21396429

SCHEMBL21396429

O=c1c2nc(-c3ccc(Cl)cc3)n([C@@H]3OC4CO[PH](=S)O[C@H]4C3O)c2nc2[nH]c(-c3ccccc3)cn12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ADORA3 P0DMS8 3/20 0.31
ADORA1 P30542 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAPDH P04406 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
SCHEMBL21396437 0.96 TDP1 (0.60) TDP1ADORA3ADORA1SIRT2SIRT1
SCHEMBL23921088 0.92 TDP1 (0.55) TDP1ADORA3ADORA1PDE4APDE4B
SCHEMBL21396509 0.88 TDP1 (0.53) TDP1
SCHEMBL21396353 0.88 TDP1 (0.60) TDP1ADORA3ADORA1
SCHEMBL25930837 0.85 TDP1 (0.58) TDP1ADORA3ADORA1PDE4APDE4B
SCHEMBL23921069 0.85 TDP1 (0.56) TDP1ADORA3ADORA1SIRT2SIRT1
SCHEMBL25932940 0.85 TDP1 (0.55) TDP1ADORA3ADORA1PDE4APDE4B
SCHEMBL23920904 0.84 TDP1 (0.53) TDP1ADORA3ADORA1
SCHEMBL21396506 0.83 TDP1 (0.55) TDP1ADORA3ADORA1PDE4APDE4B
SCHEMBL21396338 0.82 TDP1 (0.58) TDP1ADORA3ADORA1PDE4APDE4B

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 TDP1 1274/4885ADORA3 322/4885ADORA1 578/4885

“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.