SCHEMBL5413280

SCHEMBL5413280

CCNC(=O)[C@H]1O[C@@H](OC)[C@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.41
▸ ADORA2B P29275 6/20 0.41
▸ ADORA3 P0DMS8 4/20 0.41
▸ ADORA1 P30542 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSP90B1 P14625 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TMIGD3 P0DMS9 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LGALS8 O00214 2/20 0.37

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
SCHEMBL5763778 1.00 ADORA2A (0.41) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL4380400 1.00 ADORA2A (0.41) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL5742266 1.00 ADORA2A (0.41) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL18971275 0.98 ADORA2A (0.40) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL18971276 0.98 ADORA2A (0.40) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL18971706 0.98 ADORA2A (0.40) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL27325818 0.81 CA1 (0.35) ADORA2AADORA2BADORA3ADORA1HSP90B1
SCHEMBL18971396 0.79 ADORA3 (0.38) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL18971393 0.79 ADORA3 (0.38) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL17484921 0.79 ADORA3 (0.41) ADORA3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 — — US disclosed
US-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 — — US disclosed
US-20040229838-A1 Purine derivatives PFIZER INC 2004-11-18 — — US disclosed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 — — EP disclosed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 — — 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-20040229838-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885ADORA3 3/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885ADORA3 3/4885

“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.

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