SCHEMBL5373064

SCHEMBL5373064

COP(=O)(CC=Cc1nc2c(N)ncnc2n1CCC1CCCCC1)OC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.50
HSP90AA1 P07900 14/20 0.39
HSP90AB1 P08238 14/20 0.39
HSPA5 P11021 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL4958943 0.73 FBP1 (0.53) FBP1HSP90AA1HSP90AB1HSPA5
SCHEMBL6337579 0.72 FBP1 (0.50) FBP1HSP90AA1HSP90AB1
SCHEMBL4954196 0.72 ADORA2A (0.61) FBP1HSP90AA1HSP90AB1ADORA3ADORA1
SCHEMBL4954814 0.72 FBP1 (0.49) FBP1HSP90AA1HSP90AB1HSPA5ADORA1
SCHEMBL8029387 0.72 FBP1 (0.49) FBP1HSP90AA1HSP90AB1HSPA5ADORA3
SCHEMBL5369268 0.70 FBP1 (0.57) FBP1HSP90AA1HSP90AB1ADORA1ADORA2A
SCHEMBL4956466 0.70 FBP1 (0.64) FBP1HSP90AA1HSP90AB1HSPA5ADORA3
SCHEMBL4956734 0.70 FBP1 (0.53) FBP1HSP90AA1HSP90AB1ADORA3ADORA1
SCHEMBL4956730 0.70 FBP1 (0.56) FBP1HSP90AA1HSP90AB1ADORA3ADORA1
SCHEMBL5365778 0.70 FBP1 (0.58) FBP1HSP90AA1HSP90AB1

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 FBP1 1/4885HSP90AA1 4022/4885HSP90AB1 3634/4885

“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.