SCHEMBL21396478

SCHEMBL21396478

Nc1nc2c(nc(-c3ccc(Cl)cc3)n2[C@@H]2OC3CO[PH](=S)O[C@H]3C2O)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
PNP P00491 2/20 0.41
STING1 Q86WV6 13/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL21396479 0.92 MAPT (0.46) MAPTBLMPMP22TSHRNFKB1
SCHEMBL24775999 0.91 MAPT (0.46) MAPTBLMPMP22CYP3A4TSHR
SCHEMBL21396370 0.86 MAPT (0.45) MAPTBLMPMP22CYP3A4TSHR
SCHEMBL21396358 0.85 MAPT (0.46) MAPTBLMPMP22CYP3A4TSHR
SCHEMBL25930383 0.83 MAPT (0.46) MAPTBLMPMP22CYP3A4TSHR
SCHEMBL23921152 0.83 MAPT (0.46) MAPTBLMPMP22CYP3A4TSHR
SCHEMBL23921235 0.82 MAPT (0.47) MAPTBLMPMP22TSHRNFKB1
SCHEMBL23921105 0.82 DHFR (0.47) MAPTBLMPMP22CYP3A4TSHR
SCHEMBL21396523 0.82 MAPT (0.45) MAPTBLMPMP22CYP3A4TSHR
SCHEMBL21396429 0.80 TDP1 (0.56)

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 MAPT 4419/4885BLM 2555/4885PMP22 4376/4885

“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.