SCHEMBL5358015

SCHEMBL5358015

Nc1nc(CCc2ccccc2)nc2nc(CO)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.42
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
ADORA1 P30542 4/20 0.37
ADORA2A P29274 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2B P29275 1/20 0.37
BACE1 P56817 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL5357839 0.86 PNP (0.42) PNPALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL5364358 0.81 ADORA2A (0.43) ALDH1A1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL5358009 0.78 ADORA1 (0.43) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL5359005 0.78 MMP2 (0.47) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL28037851 0.77 PNP (0.59) PNPMAPTADORA1ADORA2AKMT2A
SCHEMBL2045845 0.73 PI4KA (0.49) PNPADORA1ADORA2AADORA3PI4KA
Alcohol SCHEMBL28116206 0.70 PNP (0.54) PNP
SCHEMBL27648253 0.70 PNP (0.61) PNPMAPT
SCHEMBL8990708 0.67 ADORA1 (0.45) ALDH1A1ADORA1ADORA2AADORA2BADORA3
SCHEMBL6268526 0.67 PNP (0.77) PNPBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 PNP 2/4885ALDH1A1 429/4885RAB9A 1918/4885

“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.