SCHEMBL6481597

SCHEMBL6481597

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 1.00
ADORA1 P30542 5/20 1.00
ADORA2B P29275 3/20 0.70
ADORA2A P29274 2/20 0.70
TSHR P16473 2/20 0.66
BLM P54132 2/20 0.66
LMNA P02545 1/20 0.66
THRB P10828 1/20 0.66
KMT2A Q03164 1/20 0.66
HSP90AA1 P07900 1/20 0.66
HSP90B1 P14625 1/20 0.66
AHCY P23526 1/20 0.66
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
PMP22 Q01453 1/20 0.61
ALDH1A1 P00352 1/20 0.61

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
SCHEMBL14065377 0.88 ADORA3 (0.79) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL6482789 0.85 ADORA3 (0.83) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL13889873 0.84 ADORA2B (0.81) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL6481970 0.84 ADORA3 (0.76) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL6489139 0.84 ADORA3 (0.71) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL20096894 0.83 ADORA3 (0.73) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL12799450 0.83 ADORA3 (0.73) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL5967720 0.82 ADORA2A (1.00) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL6483985 0.82 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2ATSHR
SCHEMBL7157779 0.82 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2ATSHR

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-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US claimed
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 14/4885ADORA2B 5/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ADORA3 29/4885ADORA1 89/4885ADORA2B 85/4885

“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.