SCHEMBL5401260

SCHEMBL5401260

O=C(OC[C@H]1C[C@H](O)[C@@H](n2cnc3c(NC4CCC(O)CC4)nc(Cl)nc32)O1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.52
▸ ADORA3 P0DMS8 9/20 0.52
▸ ADORA1 P30542 6/20 0.49
▸ ADORA2A P29274 3/20 0.49
▸ ADORA2B P29275 2/20 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
SCHEMBL5385376 0.90 NT5E (0.49) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL5385382 0.90 NT5E (0.49) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL5396369 0.88 ADORA1 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5401465 0.88 ADORA1 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL14593744 0.88 ADORA1 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL31734847 0.82 ADORA3 (0.72) NT5EADORA3ADORA1ADORA2AADORA2B
SCHEMBL5409612 0.78 ADORA1 (0.63) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5395711 0.78 ADORA1 (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL14593749 0.78 ADORA1 (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5395722 0.78 ADORA1 (0.46) ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163928-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-16 — — US disclosed
EP-1590359-A2 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV Therapeutics Inc. (US) 2005-11-02 — — EP disclosed
US-6946272-B1 Transition state analogs PROTEINIX CORPORATION (US) 2005-09-20 — — US disclosed
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-10-07 — — US disclosed
WO-2004069185-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC. (US) 2004-08-19 — — WO disclosed
US-5952462-A Transition state analogs IGEN INTERNATIONAL INC. (US) 1999-09-14 — — 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 (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-20040198691-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 NT5E 294/4885ADORA3 3/4885ADORA1 1/4885

“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.

Send feedback