SCHEMBL21396473

SCHEMBL21396473

O=c1c2nc(-c3ccccc3)n(C[C@@H](O)C3OP(O)OCC3O)c2nc2[nH]c(-c3ccccc3)cn12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.40
ADORA1 P30542 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCL2 P10415 1/20 0.30
MCL1 Q07820 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
SCHEMBL21396408 0.96 TDP1 (0.38) ADORA3ADORA1TDP1
SCHEMBL21396351 0.86 TDP1 (0.39) ADORA3ADORA1TDP1
SCHEMBL21396469 0.84 TDP1 (0.38) ADORA3ADORA1TDP1
SCHEMBL21396464 0.84 TDP1 (0.39) ADORA3ADORA1TDP1
SCHEMBL21396385 0.83 ADORA3 (0.37) ADORA3ADORA1TDP1
SCHEMBL21396413 0.76 ADORA3 (0.40) ADORA3ADORA1TDP1
SCHEMBL20016042 0.76 TDP1 (0.47) ADORA3ADORA1TDP1
SCHEMBL21396436 0.73 ADORA3 (0.52) ADORA3ADORA1TDP1BCL2MCL1
SCHEMBL21396345 0.73 TDP1 (0.38) TDP1
SCHEMBL21396405 0.73 TDP1 (0.38) ADORA3ADORA1TDP1

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

“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.