SCHEMBL6311596

SCHEMBL6311596

O=C(NCCN1CCc2ccccc2C1)NCc1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.67
ADORA3 P0DMS8 2/20 0.53
ADORA1 P30542 2/20 0.53
ADORA2B P29275 1/20 0.53

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
SCHEMBL6311591 1.00 ADORA2A (0.67) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5400207 0.90 ADORA2A (0.82) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5400202 0.90 ADORA2A (0.82) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6308245 0.89 ADORA2A (0.84) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6308144 0.84 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6308138 0.84 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6312847 0.83 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6312842 0.83 ADORA2A (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5417915 0.82 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5417908 0.82 ADORA2A (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US claimed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP claimed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 US claimed

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-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885

“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.