SCHEMBL4376288

SCHEMBL4376288

CC1(C)O[C@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(C(=O)O)nc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
ADORA3 P0DMS8 5/20 0.54
ADORA1 P30542 5/20 0.54
ADORA2B P29275 4/20 0.54
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL4376279 1.00 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL4375251 0.91 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4375246 0.91 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6322416 0.89 ADORA2A (0.62) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6322425 0.89 ADORA2A (0.62) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL9056149 0.88 ADORA2A (0.59) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL4371461 0.87 ADORA2A (0.64) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4371473 0.87 ADORA2A (0.64) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL10688350 0.86 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL7176166 0.85 ADORA2A (0.73) ADORA2AADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 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 (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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADORA2A 9/4885ADORA3 23/4885ADORA1 40/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ADORA2A 10/4885ADORA3 23/4885ADORA1 25/4885

“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.