SCHEMBL6480536

SCHEMBL6480536

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(OC)ccc4O)ncnc32)[C@H](O)[C@@H]1N

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.86
ADORA1 P30542 3/20 0.65
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL6490256 1.00 ADORA3 (0.86) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL6480063 0.92 ADORA3 (1.00) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL6482773 0.88 ADORA3 (0.85) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL6480914 0.87 ADORA3 (0.80) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL6481456 0.87 ADORA3 (0.86) ADORA3ADORA1
SCHEMBL6480738 0.87 ADORA3 (0.86) ADORA3ADORA1
SCHEMBL6215689 0.86 ADORA3 (0.87) ADORA3ADORA1
SCHEMBL6211694 0.83 ADORA3 (0.86) ADORA3ADORA1
SCHEMBL6493678 0.83 ADORA3 (0.71) ADORA3ADORA1CYP3A4TSHRNFKB1
SCHEMBL6493731 0.83 ADORA3 (0.71) ADORA3ADORA1CYP3A4TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP claimed
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US disclosed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US disclosed
EP-1241176-A1 Purine derivatives for the treatment of ischemia Pfizer Products Inc. (US) 2002-09-18 EP 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 (2 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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R ADORA3 4/4885ADORA1 14/4885CYP3A4 1940/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ADORA3 29/4885ADORA1 89/4885CYP3A4 2413/4885

“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.