SCHEMBL4383754

SCHEMBL4383754

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)OCC)nc32)[C@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.60
ADORA3 P0DMS8 4/20 0.60
ADORA2B P29275 4/20 0.60
ADORA1 P30542 4/20 0.60

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
SCHEMBL4368845 1.00 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4376745 0.94 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4371461 0.92 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4371473 0.92 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4375251 0.88 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4375246 0.88 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL238290 0.88 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4433192 0.88 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764372 0.86 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764285 0.86 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US claimed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US claimed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 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 (3 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADORA2A 9/4885ADORA3 23/4885ADORA2B 12/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADORA2A 10/4885ADORA3 23/4885ADORA2B 11/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 ADORA2A 9/4885ADORA3 21/4885ADORA2B 10/4885

“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.