SCHEMBL6913464

SCHEMBL6913464

O=C(NCCc1ccccc1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.78
PGK1 P00558 3/20 0.65
PGK2 P07205 3/20 0.65
ADORA3 P0DMS8 4/20 0.63
ADORA1 P30542 4/20 0.63
ADORA2B P29275 2/20 0.63
NFKB1 P19838 1/20 0.60
THPO P40225 1/20 0.60
TSHR P16473 1/20 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
SCHEMBL6327867 1.00 ADORA2A (0.78) ADORA2APGK1PGK2ADORA3ADORA1
SCHEMBL6327873 1.00 ADORA2A (0.78) ADORA2APGK1PGK2ADORA3ADORA1
SCHEMBL6913460 1.00 ADORA2A (0.78) ADORA2APGK1PGK2ADORA3ADORA1
SCHEMBL4560532 0.91 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4373572 0.91 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4373570 0.91 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6326890 0.91 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6052019 0.91 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6347121 0.91 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6347124 0.91 ADORA2A (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209916-A1 Combination therapies PFIZER INC 2004-10-21 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 (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-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A ADORA2A 10/4885PGK1 2235/4885PGK2 1358/4885

“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.