SCHEMBL3309845

SCHEMBL3309845

Nc1nc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)csc2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNP P00491 9/20 0.53
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PYGL P06737 1/20 0.39
EIF4E P06730 1/20 0.38

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
SCHEMBL3309836 1.00 PNP (0.53) PNPCYP3A4MAPTHIF1AMEN1
SCHEMBL3301755 0.79 PNP (0.40) PNPCYP3A4MAPTMEN1KMT2A
SCHEMBL3301763 0.79 PNP (0.40) PNPCYP3A4MAPTMEN1KMT2A
SCHEMBL3302990 0.79 PNP (0.81) PNP
SCHEMBL3302997 0.79 PNP (0.81) PNP
SCHEMBL260736 0.79 PNP (0.53) PNPCYP3A4MAPTHIF1AMEN1
SCHEMBL260738 0.79 PNP (0.53) PNPCYP3A4MAPTHIF1AMEN1
SCHEMBL3308717 0.79 PNP (0.53) PNPCYP3A4MAPTHIF1AMEN1
SCHEMBL258829 0.79 PNP (0.53) PNPCYP3A4MAPTHIF1AMEN1
SCHEMBL20665656 0.79 KRAS (0.49) MAPTHIF1APYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 US claimed
US-8344132-B2 Methods for the preparation of 9-deazapurine derivatives BioCryst Pharmaceticals, Inc. (US) 2013-01-01 US disclosed
US-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES BIO CRYST PHARMACEUTICALS , INC. (US) 2010-04-15 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-20100093991-A1 METHODS FOR THE PREPARATION OF 9-DEAZAPURINE DERIVATIVES DPYD, TYMP, UNG PNP 8/4885CYP3A4 705/4885MAPT 3742/4885

“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.